6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide

C16H12Cl2FN3O2 — CID 156880882

IUPAC6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(Cl)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(19)14(10)16(24)22-12-6-13(18)20-7-9(12)15(23)21-8-4-5-8/h1-3,6-8H,4-5H2,(H,21,23)(H,20,22,24)
InChIKeyDDFJNOZKRWBMRC-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.67
Rot. Bonds4

About 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide

6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 156880882) has the molecular formula C16H12Cl2FN3O2 and a molecular weight of 368.20 g/mol. Its IUPAC name is 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide
PubChem CID156880882
Molecular FormulaC16H12Cl2FN3O2
Molecular Weight368.20 g/mol
Exact Mass367.03
IUPAC Name6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(Cl)cc1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(19)14(10)16(24)22-12-6-13(18)20-7-9(12)15(23)21-8-4-5-8/h1-3,6-8H,4-5H2,(H,21,23)(H,20,22,24)
InChIKeyDDFJNOZKRWBMRC-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-chloro-6-fluorobenzamide
CID 61231775
4-amino-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 156880832
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
4,6-dichloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 159995696
2-chloro-N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108550866
4-bromo-2-[(2-chloro-6-fluorobenzoyl)amino]benzoic acid
CID 60916637
N-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 170430073
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 108567325
2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
CID 113456731

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide (CID 156880882) is 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cnc(Cl)cc1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is DDFJNOZKRWBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O2/c17-10-2-1-3-11(19)14(10)16(24)22-12-6-13(18)20-7-9(12)15(23)21-8-4-5-8/h1-3,6-8H,4-5H2,(H,21,23)(H,20,22,24).
What are the key properties of 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide?
6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 368.20 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2-chloro-6-fluorobenzoyl)amino]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 156880882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).