4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide

C91H77Cl4F6N21O8S — CID 157142467

IUPAC4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCN(C)CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C25H24ClFN6O2.C24H21ClFN5O2S.C22H18ClF2N5O2.C20H14ClF2N5O2/c1-32-10-12-33(13-11-32)23(28)16-6-8-18(20(27)14-16)24(34)30-21-5-3-2-4-19(21)25(35)31-22-9-7-17(26)15-29-22;25-16-6-8-21(28-14-16)30-24(33)18-3-1-2-4-20(18)29-23(32)17-7-5-15(13-19(17)26)22(27)31-9-11-34-12-10-31;1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-5-14(24)10-16(18)22(32)29-19-8-4-13(23)11-27-19;21-11-2-6-17(26-9-11)28-20(30)14-8-12(22)3-5-16(14)27-19(29)13-4-1-10(18(24)25)7-15(13)23/h2-9,14-15,28H,10-13H2,1H3,(H,30,34)(H,29,31,35);1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32);1-9H,(H3,24,25)(H,27,29)(H,26,28,30)/b28-23-;27-22-;26-20-;
InChIKeyAKINJXWZEJIMKW-WLWRJXEKSA-N
MW1880.62 g/mol
LogP16.91
Rot. Bonds20

About 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide

4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (PubChem CID 157142467) has the molecular formula C91H77Cl4F6N21O8S and a molecular weight of 1880.62 g/mol. Its IUPAC name is 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.

Molecular Properties

Compound Name4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
PubChem CID157142467
Molecular FormulaC91H77Cl4F6N21O8S
Molecular Weight1880.62 g/mol
Exact Mass1877.46
IUPAC Name4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCN(C)CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C25H24ClFN6O2.C24H21ClFN5O2S.C22H18ClF2N5O2.C20H14ClF2N5O2/c1-32-10-12-33(13-11-32)23(28)16-6-8-18(20(27)14-16)24(34)30-21-5-3-2-4-19(21)25(35)31-22-9-7-17(26)15-29-22;25-16-6-8-21(28-14-16)30-24(33)18-3-1-2-4-20(18)29-23(32)17-7-5-15(13-19(17)26)22(27)31-9-11-34-12-10-31;1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-5-14(24)10-16(18)22(32)29-19-8-4-13(23)11-27-19;21-11-2-6-17(26-9-11)28-20(30)14-8-12(22)3-5-16(14)27-19(29)13-4-1-10(18(24)25)7-15(13)23/h2-9,14-15,28H,10-13H2,1H3,(H,30,34)(H,29,31,35);1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32);1-9H,(H3,24,25)(H,27,29)(H,26,28,30)/b28-23-;27-22-;26-20-;
InChIKeyAKINJXWZEJIMKW-WLWRJXEKSA-N
XLogP16.91
TPSA418.74 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001880.62
LogP ≤ 516.91
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-2-(4-(imino(thiomorpholino)methyl)benzamido)benzamide
CID 9826433
N-{2-[(5-chloropyridin-2-yl)carbamoyl]phenyl}-4-[(1,1-dioxo-1,4-thiomorpholin-4-yl)carboximidoyl]benzamide
CID 20747503
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide
CID 9806997
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 9871072
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 9871184
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide
CID 9937369
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 18727960
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 18727964
N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]benzamide
CID 18728178
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-6-thiomorpholin-4-ylpyridine-3-carboxamide
CID 59833350
N-(5-chloro-2-pyridinyl)-4-[[[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]-3-fluorobenzenecarboximidoyl]-methylamino]methyl]-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]benzamide
CID 142083604
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(5-phenyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 157120967

Frequently Asked Questions

What is the IUPAC name of 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The IUPAC name of 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide (CID 157142467) is 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide.
What is the SMILES notation for 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The canonical SMILES for 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCN(C)CC1.[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCSCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
The InChIKey is AKINJXWZEJIMKW-WLWRJXEKSA-N. The full InChI is InChI=1S/C25H24ClFN6O2.C24H21ClFN5O2S.C22H18ClF2N5O2.C20H14ClF2N5O2/c1-32-10-12-33(13-11-32)23(28)16-6-8-18(20(27)14-16)24(34)30-21-5-3-2-4-19(21)25(35)31-22-9-7-17(26)15-29-22;25-16-6-8-21(28-14-16)30-24(33)18-3-1-2-4-20(18)29-23(32)17-7-5-15(13-19(17)26)22(27)31-9-11-34-12-10-31;1-30(2)20(26)12-3-6-15(17(25)9-12)21(31)28-18-7-5-14(24)10-16(18)22(32)29-19-8-4-13(23)11-27-19;21-11-2-6-17(26-9-11)28-20(30)14-8-12(22)3-5-16(14)27-19(29)13-4-1-10(18(24)25)7-15(13)23/h2-9,14-15,28H,10-13H2,1H3,(H,30,34)(H,29,31,35);1-8,13-14,27H,9-12H2,(H,29,32)(H,28,30,33);3-11,26H,1-2H3,(H,28,31)(H,27,29,32);1-9H,(H3,24,25)(H,27,29)(H,26,28,30)/b28-23-;27-22-;26-20-;.
What are the key properties of 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide?
4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide has a molecular weight of 1880.62 g/mol, XLogP of 16.91, 20 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide is sourced from PubChem (CID 157142467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).