4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide

C129H127BrN24O20 — CID 159477673

IUPAC4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1.CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-n3nc(-c4ccc(C(=O)NCCCNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)c4ccccc43)cc2)c([N+](=O)[O-])c1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)N(C)Cc4ccc(C(=O)NC)cc4[N+](=O)[O-])cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)NC)cc3)c3ccccc23)cc1.CNCc1ccc(C(=O)NC)cc1[N+](=O)[O-]
InChIInChI=1S/C49H43N7O7.C35H35N7O5.C26H27N5O2.C10H13N3O3.C9H9BrN2O3/c1-50-46(57)34-20-21-35(44(28-34)56(61)62)29-54(2)48(59)33-22-24-36(25-23-33)55-43-15-8-7-14-41(43)45(53-55)31-16-18-32(19-17-31)47(58)51-26-9-27-52-49(60)63-30-42-39-12-5-3-10-37(39)38-11-4-6-13-40(38)42;1-36-19-6-20-38-34(44)24-11-9-23(10-12-24)32-29-7-4-5-8-30(29)41(39-32)28-17-15-25(16-18-28)35(45)40(3)22-27-14-13-26(33(43)37-2)21-31(27)42(46)47;1-27-16-5-17-29-26(33)20-10-8-18(9-11-20)24-22-6-3-4-7-23(22)31(30-24)21-14-12-19(13-15-21)25(32)28-2;1-11-6-8-4-3-7(10(14)12-2)5-9(8)13(15)16;1-11-9(13)6-2-3-7(5-10)8(4-6)12(14)15/h3-8,10-25,28,42H,9,26-27,29-30H2,1-2H3,(H,50,57)(H,51,58)(H,52,60);4-5,7-18,21,36H,6,19-20,22H2,1-3H3,(H,37,43)(H,38,44);3-4,6-15,27H,5,16-17H2,1-2H3,(H,28,32)(H,29,33);3-5,11H,6H2,1-2H3,(H,12,14);2-4H,5H2,1H3,(H,11,13)
InChIKeyLWPCTKMUIBAQGE-UHFFFAOYSA-N
MW2413.49 g/mol
LogP18.38
Rot. Bonds41

About 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide

4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide (PubChem CID 159477673) has the molecular formula C129H127BrN24O20 and a molecular weight of 2413.49 g/mol. Its IUPAC name is 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide
PubChem CID159477673
Molecular FormulaC129H127BrN24O20
Molecular Weight2413.49 g/mol
Exact Mass2410.88
IUPAC Name4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1.CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-n3nc(-c4ccc(C(=O)NCCCNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)c4ccccc43)cc2)c([N+](=O)[O-])c1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)N(C)Cc4ccc(C(=O)NC)cc4[N+](=O)[O-])cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)NC)cc3)c3ccccc23)cc1.CNCc1ccc(C(=O)NC)cc1[N+](=O)[O-]
InChIInChI=1S/C49H43N7O7.C35H35N7O5.C26H27N5O2.C10H13N3O3.C9H9BrN2O3/c1-50-46(57)34-20-21-35(44(28-34)56(61)62)29-54(2)48(59)33-22-24-36(25-23-33)55-43-15-8-7-14-41(43)45(53-55)31-16-18-32(19-17-31)47(58)51-26-9-27-52-49(60)63-30-42-39-12-5-3-10-37(39)38-11-4-6-13-40(38)42;1-36-19-6-20-38-34(44)24-11-9-23(10-12-24)32-29-7-4-5-8-30(29)41(39-32)28-17-15-25(16-18-28)35(45)40(3)22-27-14-13-26(33(43)37-2)21-31(27)42(46)47;1-27-16-5-17-29-26(33)20-10-8-18(9-11-20)24-22-6-3-4-7-23(22)31(30-24)21-14-12-19(13-15-21)25(32)28-2;1-11-6-8-4-3-7(10(14)12-2)5-9(8)13(15)16;1-11-9(13)6-2-3-7(5-10)8(4-6)12(14)15/h3-8,10-25,28,42H,9,26-27,29-30H2,1-2H3,(H,50,57)(H,51,58)(H,52,60);4-5,7-18,21,36H,6,19-20,22H2,1-3H3,(H,37,43)(H,38,44);3-4,6-15,27H,5,16-17H2,1-2H3,(H,28,32)(H,29,33);3-5,11H,6H2,1-2H3,(H,12,14);2-4H,5H2,1H3,(H,11,13)
InChIKeyLWPCTKMUIBAQGE-UHFFFAOYSA-N
XLogP18.38
TPSA573.86 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds41
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.49
LogP ≤ 518.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide with MolForge

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Related Compounds

4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid
CID 9961525
9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[[2-[[(2Z,4E,6E)-4-ethylidene-6-methylnona-2,6-dien-5-yl]amino]-2-oxoethyl]-methylcarbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 60083120
9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[ethyl-[(2Z,4E,6E)-4-ethylidene-6-methylnona-2,6-dien-5-yl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 60083124
9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 60083134
4-[3-[4-(3-aminopropylcarbamoyl)phenyl]indazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)indazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)indazol-1-yl]benzoic acid;4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoic acid;4-[3-(4-prop-2-enoxycarbonylphenyl)indazol-1-yl]benzoic acid;prop-2-enyl 4-[1-[4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylphenyl]indazol-3-yl]benzoate
CID 157385814
4-[3-[4-(3-aminopropylcarbamoyl)phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[1-(4-carboxyphenyl)-5-nitroindazol-3-yl]benzoic acid;4-[3-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propylcarbamoyl]phenyl]-5-nitroindazol-1-yl]benzoic acid;4-[3-(4-methoxycarbonylphenyl)-5-nitroindazol-1-yl]benzoic acid;[4-[1-[4-(piperazine-1-carbonyl)phenyl]indazol-3-yl]phenyl]-piperazin-1-ylmethanone;dihydrochloride
CID 160262690
N-(3-aminopropyl)-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;4-[1-(4-carbamoylphenyl)indazol-3-yl]-N-[3-(methanesulfonamido)propyl]benzamide;9H-fluoren-9-ylmethyl N-methylcarbamate;N-[3-(methanesulfonamido)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide
CID 161905455

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide?
The IUPAC name of 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide (CID 159477673) is 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide?
The canonical SMILES for 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide is CNC(=O)c1ccc(CBr)c([N+](=O)[O-])c1.CNC(=O)c1ccc(CN(C)C(=O)c2ccc(-n3nc(-c4ccc(C(=O)NCCCNC(=O)OCC5c6ccccc6-c6ccccc65)cc4)c4ccccc43)cc2)c([N+](=O)[O-])c1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)N(C)Cc4ccc(C(=O)NC)cc4[N+](=O)[O-])cc3)c3ccccc23)cc1.CNCCCNC(=O)c1ccc(-c2nn(-c3ccc(C(=O)NC)cc3)c3ccccc23)cc1.CNCc1ccc(C(=O)NC)cc1[N+](=O)[O-].
What is the InChIKey of 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide?
The InChIKey is LWPCTKMUIBAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N7O7.C35H35N7O5.C26H27N5O2.C10H13N3O3.C9H9BrN2O3/c1-50-46(57)34-20-21-35(44(28-34)56(61)62)29-54(2)48(59)33-22-24-36(25-23-33)55-43-15-8-7-14-41(43)45(53-55)31-16-18-32(19-17-31)47(58)51-26-9-27-52-49(60)63-30-42-39-12-5-3-10-37(39)38-11-4-6-13-40(38)42;1-36-19-6-20-38-34(44)24-11-9-23(10-12-24)32-29-7-4-5-8-30(29)41(39-32)28-17-15-25(16-18-28)35(45)40(3)22-27-14-13-26(33(43)37-2)21-31(27)42(46)47;1-27-16-5-17-29-26(33)20-10-8-18(9-11-20)24-22-6-3-4-7-23(22)31(30-24)21-14-12-19(13-15-21)25(32)28-2;1-11-6-8-4-3-7(10(14)12-2)5-9(8)13(15)16;1-11-9(13)6-2-3-7(5-10)8(4-6)12(14)15/h3-8,10-25,28,42H,9,26-27,29-30H2,1-2H3,(H,50,57)(H,51,58)(H,52,60);4-5,7-18,21,36H,6,19-20,22H2,1-3H3,(H,37,43)(H,38,44);3-4,6-15,27H,5,16-17H2,1-2H3,(H,28,32)(H,29,33);3-5,11H,6H2,1-2H3,(H,12,14);2-4H,5H2,1H3,(H,11,13).
What are the key properties of 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide?
4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide has a molecular weight of 2413.49 g/mol, XLogP of 18.38, 41 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-methyl-3-nitrobenzamide;9H-fluoren-9-ylmethyl N-[3-[[4-[1-[4-[methyl-[[4-(methylcarbamoyl)-2-nitrophenyl]methyl]carbamoyl]phenyl]indazol-3-yl]benzoyl]amino]propyl]carbamate;N-[3-(methylamino)propyl]-4-[1-[4-(methylcarbamoyl)phenyl]indazol-3-yl]benzamide;N-methyl-4-(methylaminomethyl)-3-nitrobenzamide;N-methyl-4-[[methyl-[4-[3-[4-[3-(methylamino)propylcarbamoyl]phenyl]indazol-1-yl]benzoyl]amino]methyl]-3-nitrobenzamide is sourced from PubChem (CID 159477673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).