sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide

C113H102ClF8N10NaO20 — CID 160674083

IUPACsodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide
SMILESC.COC(=O)c1c(F)cccc1-c1ccc(CN)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)O)cc2)c(F)c1.COC(=O)c1ccc(C(=O)Cl)cc1.COC(=O)c1ccc(C(=O)NCc2ccc(-c3cccc(F)c3C(=O)OC)cc2F)cc1.[Na+].[OH-].c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C32H28F2N4O4.C24H19F2NO5.C23H17F2NO5.C15H13F2NO2.C9H7ClO3.C9H13N3.CH4.Na.H2O/c1-42-32(41)29-26(3-2-4-27(29)33)23-9-10-24(28(34)19-23)20-36-30(39)21-5-7-22(8-6-21)31(40)38-17-15-37(16-18-38)25-11-13-35-14-12-25;1-31-23(29)15-8-6-14(7-9-15)22(28)27-13-17-11-10-16(12-20(17)26)18-4-3-5-19(25)21(18)24(30)32-2;1-31-23(30)20-17(3-2-4-18(20)24)15-9-10-16(19(25)11-15)12-26-21(27)13-5-7-14(8-6-13)22(28)29;1-20-15(19)14-11(3-2-4-12(14)16)9-5-6-10(8-18)13(17)7-9;1-13-9(12)7-4-2-6(3-5-7)8(10)11;1-3-10-4-2-9(1)12-7-5-11-6-8-12;;;/h2-14,19H,15-18,20H2,1H3,(H,36,39);3-12H,13H2,1-2H3,(H,27,28);2-11H,12H2,1H3,(H,26,27)(H,28,29);2-7H,8,18H2,1H3;2-5H,1H3;1-4,11H,5-8H2;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyRNHPEDMBLAGXGM-UHFFFAOYSA-M
MW2130.54 g/mol
LogP15.57
Rot. Bonds25

About sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide

sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide (PubChem CID 160674083) has the molecular formula C113H102ClF8N10NaO20 and a molecular weight of 2130.54 g/mol. Its IUPAC name is sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide.

Molecular Properties

Compound Namesodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide
PubChem CID160674083
Molecular FormulaC113H102ClF8N10NaO20
Molecular Weight2130.54 g/mol
Exact Mass2128.67
IUPAC Namesodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide
SMILESC.COC(=O)c1c(F)cccc1-c1ccc(CN)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)O)cc2)c(F)c1.COC(=O)c1ccc(C(=O)Cl)cc1.COC(=O)c1ccc(C(=O)NCc2ccc(-c3cccc(F)c3C(=O)OC)cc2F)cc1.[Na+].[OH-].c1cc(N2CCNCC2)ccn1
InChIInChI=1S/C32H28F2N4O4.C24H19F2NO5.C23H17F2NO5.C15H13F2NO2.C9H7ClO3.C9H13N3.CH4.Na.H2O/c1-42-32(41)29-26(3-2-4-27(29)33)23-9-10-24(28(34)19-23)20-36-30(39)21-5-7-22(8-6-21)31(40)38-17-15-37(16-18-38)25-11-13-35-14-12-25;1-31-23(29)15-8-6-14(7-9-15)22(28)27-13-17-11-10-16(12-20(17)26)18-4-3-5-19(25)21(18)24(30)32-2;1-31-23(30)20-17(3-2-4-18(20)24)15-9-10-16(19(25)11-15)12-26-21(27)13-5-7-14(8-6-13)22(28)29;1-20-15(19)14-11(3-2-4-12(14)16)9-5-6-10(8-18)13(17)7-9;1-13-9(12)7-4-2-6(3-5-7)8(10)11;1-3-10-4-2-9(1)12-7-5-11-6-8-12;;;/h2-14,19H,15-18,20H2,1H3,(H,36,39);3-12H,13H2,1-2H3,(H,27,28);2-11H,12H2,1H3,(H,26,27)(H,28,29);2-7H,8,18H2,1H3;2-5H,1H3;1-4,11H,5-8H2;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyRNHPEDMBLAGXGM-UHFFFAOYSA-M
XLogP15.57
TPSA420.09 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002130.54
LogP ≤ 515.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide with MolForge

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Related Compounds

Methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate
CID 11649883
1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
CID 159130306
benzyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 159285461
2-[4-[4-[[4-[(3,5-Difluoro-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-fluoro-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[4-[3-(hydroxymethyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-[(3-methyl-4-pyridinyl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol;methyl 4-[[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]methyl]benzoate
CID 159420708
methyl 3-(6-methyl-3-pyridinyl)-4-[3-methyl-5-(trifluoromethyl)phenyl]benzoate;4-[3-methyl-5-(trifluoromethyl)phenyl]-3-(6-oxo-1H-pyridin-3-yl)benzoic acid;5-[2-[3-methyl-5-(trifluoromethyl)phenyl]-5-(3-pyridin-3-ylpyrrolidine-1-carbonyl)phenyl]-1H-pyridin-2-one
CID 160749528
Methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-3-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate
CID 11649882
4-[6-[[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3,5-difluorobenzoic acid;methyl 4-[6-[[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-3,5-difluorobenzoate
CID 88876510
tert-butyl 4-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate;tert-butyl 4-[(4-methoxycarbonylphenyl)methyl-(5-pentylpyridine-2-carbonyl)amino]piperidine-1-carboxylate;N-[[4-[(2,6-difluorophenyl)methylcarbamoyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoic acid;methyl 4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]benzoate;methyl 4-[[(5-pentylpyridine-2-carbonyl)-piperidin-4-ylamino]methyl]benzoate;5-pentylpyridine-2-carboxylic acid
CID 157580367
4-Fluorosulfonyl-3-hydroxybenzoyl chloride;3-hydroxybenzoic acid;bis(methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate);methyl 2-fluoro-6-[3-fluoro-4-[[(3-hydroxybenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazin-1-yl)sulfonylbenzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine
CID 159288462
3,5-Difluoropyridine-4-carboxylic acid;methyl 3-(4-aminophenyl)-4-methylbenzoate;methyl 3-[4-[(3,5-difluoropyridine-4-carbonyl)amino]phenyl]-4-methylbenzoate
CID 159894898
lithium;acetyl chloride;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoic acid;4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluoro-N-[(1R)-1-phenylpropyl]benzamide;methane;methyl 4-[6-(1-acetylpiperidin-3-yl)-3-aminopyrazin-2-yl]-2-fluorobenzoate;methyl 4-(3-amino-6-piperidin-3-ylpyrazin-2-yl)-2-fluorobenzoate;hydroxide
CID 159984968
Ethyl 3-[2-(1-aminoethyl)-5-[(3-fluoro-4-pyridinyl)carbamoyl]phenyl]benzoate;propyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 160474243

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide?
The IUPAC name of sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide (CID 160674083) is sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide.
What is the SMILES notation for sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide?
The canonical SMILES for sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide is C.COC(=O)c1c(F)cccc1-c1ccc(CN)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)N3CCN(c4ccncc4)CC3)cc2)c(F)c1.COC(=O)c1c(F)cccc1-c1ccc(CNC(=O)c2ccc(C(=O)O)cc2)c(F)c1.COC(=O)c1ccc(C(=O)Cl)cc1.COC(=O)c1ccc(C(=O)NCc2ccc(-c3cccc(F)c3C(=O)OC)cc2F)cc1.[Na+].[OH-].c1cc(N2CCNCC2)ccn1.
What is the InChIKey of sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide?
The InChIKey is RNHPEDMBLAGXGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28F2N4O4.C24H19F2NO5.C23H17F2NO5.C15H13F2NO2.C9H7ClO3.C9H13N3.CH4.Na.H2O/c1-42-32(41)29-26(3-2-4-27(29)33)23-9-10-24(28(34)19-23)20-36-30(39)21-5-7-22(8-6-21)31(40)38-17-15-37(16-18-38)25-11-13-35-14-12-25;1-31-23(29)15-8-6-14(7-9-15)22(28)27-13-17-11-10-16(12-20(17)26)18-4-3-5-19(25)21(18)24(30)32-2;1-31-23(30)20-17(3-2-4-18(20)24)15-9-10-16(19(25)11-15)12-26-21(27)13-5-7-14(8-6-13)22(28)29;1-20-15(19)14-11(3-2-4-12(14)16)9-5-6-10(8-18)13(17)7-9;1-13-9(12)7-4-2-6(3-5-7)8(10)11;1-3-10-4-2-9(1)12-7-5-11-6-8-12;;;/h2-14,19H,15-18,20H2,1H3,(H,36,39);3-12H,13H2,1-2H3,(H,27,28);2-11H,12H2,1H3,(H,26,27)(H,28,29);2-7H,8,18H2,1H3;2-5H,1H3;1-4,11H,5-8H2;1H4;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide?
sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide has a molecular weight of 2130.54 g/mol, XLogP of 15.57, 25 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[[2-fluoro-4-(3-fluoro-2-methoxycarbonylphenyl)phenyl]methylcarbamoyl]benzoic acid;methane;methyl 2-[4-(aminomethyl)-3-fluorophenyl]-6-fluorobenzoate;methyl 4-carbonochloridoylbenzoate;methyl 2-fluoro-6-[3-fluoro-4-[[(4-methoxycarbonylbenzoyl)amino]methyl]phenyl]benzoate;methyl 2-fluoro-6-[3-fluoro-4-[[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoyl]amino]methyl]phenyl]benzoate;1-pyridin-4-ylpiperazine;hydroxide is sourced from PubChem (CID 160674083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).