2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide

C116H96Cl10F5N23O10 — CID 91098083

IUPAC2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C26H24Cl2FN5O2.C25H22Cl2FN5O2.2C22H17Cl2FN4O2.C21H16Cl2FN5O2/c1-15-11-18(28)13-20(26(36)32-22-8-6-17(27)14-31-22)23(15)33-25(35)19-7-5-16(12-21(19)29)24(30)34-9-3-2-4-10-34;1-14-10-17(27)12-19(25(35)31-21-7-5-16(26)13-30-21)22(14)32-24(34)18-6-4-15(11-20(18)28)23(29)33-8-2-3-9-33;2*1-11-7-15(24)9-17(22(31)28-19-6-4-14(23)10-27-19)20(11)29-21(30)16-5-3-13(12(2)26)8-18(16)25;1-10-6-13(23)8-15(21(31)28-17-5-3-12(22)9-27-17)18(10)29-20(30)14-4-2-11(19(25)26)7-16(14)24/h5-8,11-14,30H,2-4,9-10H2,1H3,(H,33,35)(H,31,32,36);4-7,10-13,29H,2-3,8-9H2,1H3,(H,32,34)(H,30,31,35);2*3-10,26H,1-2H3,(H,29,30)(H,27,28,31);2-9H,1H3,(H3,25,26)(H,29,30)(H,27,28,31)/b30-24-;29-23-;2*26-12+;
InChIKeyGYFPXHPNGMYQFR-GPSBQSBMSA-N
MW2421.71 g/mol
LogP27.99
Rot. Bonds25

About 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide

2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide (PubChem CID 91098083) has the molecular formula C116H96Cl10F5N23O10 and a molecular weight of 2421.71 g/mol. Its IUPAC name is 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
PubChem CID91098083
Molecular FormulaC116H96Cl10F5N23O10
Molecular Weight2421.71 g/mol
Exact Mass2415.45
IUPAC Name2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C26H24Cl2FN5O2.C25H22Cl2FN5O2.2C22H17Cl2FN4O2.C21H16Cl2FN5O2/c1-15-11-18(28)13-20(26(36)32-22-8-6-17(27)14-31-22)23(15)33-25(35)19-7-5-16(12-21(19)29)24(30)34-9-3-2-4-10-34;1-14-10-17(27)12-19(25(35)31-21-7-5-16(26)13-30-21)22(14)32-24(34)18-6-4-15(11-20(18)28)23(29)33-8-2-3-9-33;2*1-11-7-15(24)9-17(22(31)28-19-6-4-14(23)10-27-19)20(11)29-21(30)16-5-3-13(12(2)26)8-18(16)25;1-10-6-13(23)8-15(21(31)28-17-5-3-12(22)9-27-17)18(10)29-20(30)14-4-2-11(19(25)26)7-16(14)24/h5-8,11-14,30H,2-4,9-10H2,1H3,(H,33,35)(H,31,32,36);4-7,10-13,29H,2-3,8-9H2,1H3,(H,32,34)(H,30,31,35);2*3-10,26H,1-2H3,(H,29,30)(H,27,28,31);2-9H,1H3,(H3,25,26)(H,29,30)(H,27,28,31)/b30-24-;29-23-;2*26-12+;
InChIKeyGYFPXHPNGMYQFR-GPSBQSBMSA-N
XLogP27.99
TPSA507.20 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002421.71
LogP ≤ 527.99
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide with MolForge

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Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[2-(4-methylpiperazin-1-yl)phenyl]benzoyl]amino]benzamide
CID 44385561
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-[3-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 44387120
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-piperidin-1-ylphenyl)benzoyl]amino]benzamide
CID 44385783
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-pyrrolidin-1-ylphenyl)benzoyl]amino]benzamide
CID 44386929
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 10117793
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide
CID 10142460
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
CID 59089657
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]-3-methylbenzamide
CID 59089690
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide
CID 59089721
2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide
CID 59089738
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
CID 59089751
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzoyl]amino]-3-methylbenzamide
CID 59089799

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide?
The IUPAC name of 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide (CID 91098083) is 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide.
What is the SMILES notation for 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide?
The canonical SMILES for 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\N)c1ccc(C(=O)Nc2c(C)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide?
The InChIKey is GYFPXHPNGMYQFR-GPSBQSBMSA-N. The full InChI is InChI=1S/C26H24Cl2FN5O2.C25H22Cl2FN5O2.2C22H17Cl2FN4O2.C21H16Cl2FN5O2/c1-15-11-18(28)13-20(26(36)32-22-8-6-17(27)14-31-22)23(15)33-25(35)19-7-5-16(12-21(19)29)24(30)34-9-3-2-4-10-34;1-14-10-17(27)12-19(25(35)31-21-7-5-16(26)13-30-21)22(14)32-24(34)18-6-4-15(11-20(18)28)23(29)33-8-2-3-9-33;2*1-11-7-15(24)9-17(22(31)28-19-6-4-14(23)10-27-19)20(11)29-21(30)16-5-3-13(12(2)26)8-18(16)25;1-10-6-13(23)8-15(21(31)28-17-5-3-12(22)9-27-17)18(10)29-20(30)14-4-2-11(19(25)26)7-16(14)24/h5-8,11-14,30H,2-4,9-10H2,1H3,(H,33,35)(H,31,32,36);4-7,10-13,29H,2-3,8-9H2,1H3,(H,32,34)(H,30,31,35);2*3-10,26H,1-2H3,(H,29,30)(H,27,28,31);2-9H,1H3,(H3,25,26)(H,29,30)(H,27,28,31)/b30-24-;29-23-;2*26-12+;.
What are the key properties of 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide?
2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide has a molecular weight of 2421.71 g/mol, XLogP of 27.99, 25 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-5-chloro-N-(5-chloro-2-pyridinyl)-3-methylbenzamide;bis(5-chloro-N-(5-chloro-2-pyridinyl)-2-[(4-ethanimidoyl-2-fluorobenzoyl)amino]-3-methylbenzamide);5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide is sourced from PubChem (CID 91098083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).