2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide

C12H6ClF2N3O2 — CID 143653171

IUPAC2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide
SMILESO=NC(=O)c1ccc(F)c(F)c1Nc1cncc(Cl)c1
InChIInChI=1S/C12H6ClF2N3O2/c13-6-3-7(5-16-4-6)17-11-8(12(19)18-20)1-2-9(14)10(11)15/h1-5,17H
InChIKeyYCKQGGSKNYSZGP-UHFFFAOYSA-N
MW297.65 g/mol
LogP3.66
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide

2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide (PubChem CID 143653171) has the molecular formula C12H6ClF2N3O2 and a molecular weight of 297.65 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide
PubChem CID143653171
Molecular FormulaC12H6ClF2N3O2
Molecular Weight297.65 g/mol
Exact Mass297.01
IUPAC Name2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide
SMILESO=NC(=O)c1ccc(F)c(F)c1Nc1cncc(Cl)c1
InChIInChI=1S/C12H6ClF2N3O2/c13-6-3-7(5-16-4-6)17-11-8(12(19)18-20)1-2-9(14)10(11)15/h1-5,17H
InChIKeyYCKQGGSKNYSZGP-UHFFFAOYSA-N
XLogP3.66
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.65
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-2-[(5-iodo-3-pyridinyl)amino]benzoic acid
CID 71104167
N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
CID 89278624
N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
CID 24852482
2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluoro-N-methoxybenzamide
CID 24852478
5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
CID 82535068
2-[(5-chloro-4,6-dimethyl-3-pyridinyl)amino]-3,4-difluorobenzoic acid
CID 71104165
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274
5-N-(2,6-difluoro-3-methylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104535597
N-(3,5-dichlorophenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244351
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide (CID 143653171) is 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide is O=NC(=O)c1ccc(F)c(F)c1Nc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide?
The InChIKey is YCKQGGSKNYSZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O2/c13-6-3-7(5-16-4-6)17-11-8(12(19)18-20)1-2-9(14)10(11)15/h1-5,17H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide?
2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide has a molecular weight of 297.65 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)amino]-3,4-difluoro-N-oxobenzamide is sourced from PubChem (CID 143653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).