N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide

C93H74Cl8F4N18O8 — CID 157127969

IUPACN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C25H22Cl2FN5O2.C24H20Cl2FN5O2.C23H17Cl2FN4O2.C21H15Cl2FN4O2/c26-16-5-8-21(19(13-16)25(35)32-22-9-6-17(27)14-30-22)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;25-15-4-7-20(18(12-15)24(34)31-21-8-5-16(26)13-29-21)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32;24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19;1-11(25)12-2-5-15(17(24)8-12)20(29)27-18-6-3-13(22)9-16(18)21(30)28-19-7-4-14(23)10-26-19/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34);3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32);2-10,25H,1H3,(H,27,29)(H,26,28,30)/b29-23-;28-22-;;25-11+
InChIKeyAISMVSWLRJCLED-QOMVQGBXSA-N
MW1931.35 g/mol
LogP22.33
Rot. Bonds20

About N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide

N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide (PubChem CID 157127969) has the molecular formula C93H74Cl8F4N18O8 and a molecular weight of 1931.35 g/mol. Its IUPAC name is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
PubChem CID157127969
Molecular FormulaC93H74Cl8F4N18O8
Molecular Weight1931.35 g/mol
Exact Mass1926.34
IUPAC NameN-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C25H22Cl2FN5O2.C24H20Cl2FN5O2.C23H17Cl2FN4O2.C21H15Cl2FN4O2/c26-16-5-8-21(19(13-16)25(35)32-22-9-6-17(27)14-30-22)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;25-15-4-7-20(18(12-15)24(34)31-21-8-5-16(26)13-29-21)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32;24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19;1-11(25)12-2-5-15(17(24)8-12)20(29)27-18-6-3-13(22)9-16(18)21(30)28-19-7-4-14(23)10-26-19/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34);3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32);2-10,25H,1H3,(H,27,29)(H,26,28,30)/b29-23-;28-22-;;25-11+
InChIKeyAISMVSWLRJCLED-QOMVQGBXSA-N
XLogP22.33
TPSA374.75 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001931.35
LogP ≤ 522.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide 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-piperidin-1-ylphenyl)benzoyl]amino]benzamide
CID 44385566
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-[4-(N,N-dimethylcarbamimidoyl)phenyl]benzoyl]amino]benzamide
CID 44386266
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(3-pyrrolidin-1-ylphenyl)benzoyl]amino]benzamide
CID 44386868
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
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide
CID 59089736
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]-3-methylbenzamide
CID 59089751
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

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide?
The IUPAC name of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide (CID 157127969) is N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide.
What is the SMILES notation for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide?
The canonical SMILES for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(C2=NCCC2)cc1F.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide?
The InChIKey is AISMVSWLRJCLED-QOMVQGBXSA-N. The full InChI is InChI=1S/C25H22Cl2FN5O2.C24H20Cl2FN5O2.C23H17Cl2FN4O2.C21H15Cl2FN4O2/c26-16-5-8-21(19(13-16)25(35)32-22-9-6-17(27)14-30-22)31-24(34)18-7-4-15(12-20(18)28)23(29)33-10-2-1-3-11-33;25-15-4-7-20(18(12-15)24(34)31-21-8-5-16(26)13-29-21)30-23(33)17-6-3-14(11-19(17)27)22(28)32-9-1-2-10-32;24-14-4-7-20(17(11-14)23(32)30-21-8-5-15(25)12-28-21)29-22(31)16-6-3-13(10-18(16)26)19-2-1-9-27-19;1-11(25)12-2-5-15(17(24)8-12)20(29)27-18-6-3-13(22)9-16(18)21(30)28-19-7-4-14(23)10-26-19/h4-9,12-14,29H,1-3,10-11H2,(H,31,34)(H,30,32,35);3-8,11-13,28H,1-2,9-10H2,(H,30,33)(H,29,31,34);3-8,10-12H,1-2,9H2,(H,29,31)(H,28,30,32);2-10,25H,1H3,(H,27,29)(H,26,28,30)/b29-23-;28-22-;;25-11+.
What are the key properties of N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide?
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide has a molecular weight of 1931.35 g/mol, XLogP of 22.33, 20 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide is sourced from PubChem (CID 157127969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).