2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide

C18H12ClF2N3O — CID 113023141

IUPAC2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccccc1Cl
InChIInChI=1S/C18H12ClF2N3O/c19-13-5-2-1-4-12(13)18(25)23-11-8-9-16(22-10-11)24-17-14(20)6-3-7-15(17)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyQXQSSCBOVFQWMX-UHFFFAOYSA-N
MW359.76 g/mol
LogP5.01
Rot. Bonds4

About 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide

2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide (PubChem CID 113023141) has the molecular formula C18H12ClF2N3O and a molecular weight of 359.76 g/mol. Its IUPAC name is 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
PubChem CID113023141
Molecular FormulaC18H12ClF2N3O
Molecular Weight359.76 g/mol
Exact Mass359.06
IUPAC Name2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccccc1Cl
InChIInChI=1S/C18H12ClF2N3O/c19-13-5-2-1-4-12(13)18(25)23-11-8-9-16(22-10-11)24-17-14(20)6-3-7-15(17)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyQXQSSCBOVFQWMX-UHFFFAOYSA-N
XLogP5.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.76
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2,3-dichloroanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113022429
N-[6-(2-chloro-4,6-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113019042
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020563
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
2-chloro-6-fluoro-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017839
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-(5-anilino-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 113031217

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide (CID 113023141) is 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2c(F)cccc2F)nc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide?
The InChIKey is QXQSSCBOVFQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O/c19-13-5-2-1-4-12(13)18(25)23-11-8-9-16(22-10-11)24-17-14(20)6-3-7-15(17)21/h1-10H,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide?
2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide has a molecular weight of 359.76 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113023141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).