5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide

C20H15ClFN3O2 — CID 109199519

IUPAC5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1
InChIInChI=1S/C20H15ClFN3O2/c1-12(26)13-2-4-14(5-3-13)24-16-7-9-19(23-11-16)20(27)25-15-6-8-18(22)17(21)10-15/h2-11,24H,1H3,(H,25,27)
InChIKeyVDZFUFURLLMJSY-UHFFFAOYSA-N
MW383.81 g/mol
LogP5.07
Rot. Bonds5

About 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide

5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 109199519) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
PubChem CID109199519
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1
InChIInChI=1S/C20H15ClFN3O2/c1-12(26)13-2-4-14(5-3-13)24-16-7-9-19(23-11-16)20(27)25-15-6-8-18(22)17(21)10-15/h2-11,24H,1H3,(H,25,27)
InChIKeyVDZFUFURLLMJSY-UHFFFAOYSA-N
XLogP5.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.81
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197511
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(3-chloro-4-fluorophenyl)-5-(3-methylanilino)pyridine-2-carboxamide
CID 109197376
5-(3-chloro-4-fluoroanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197308
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
5-(3,4-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109200977
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907
1-[4-[[6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865975
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
5-(4-acetylanilino)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109199329
methyl 4-[[6-[(3-chloro-4-methylphenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199478

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide (CID 109199519) is 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)nc2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is VDZFUFURLLMJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c1-12(26)13-2-4-14(5-3-13)24-16-7-9-19(23-11-16)20(27)25-15-6-8-18(22)17(21)10-15/h2-11,24H,1H3,(H,25,27).
What are the key properties of 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide?
5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109199519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).