N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide

C20H16FN3O2 — CID 113020314

IUPACN-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-4-3-7-17(11-14)23-19-9-8-18(12-22-19)24-20(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyVDOSRSHIOCMHPU-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.42
Rot. Bonds5

About N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide

N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide (PubChem CID 113020314) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
PubChem CID113020314
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-4-3-7-17(11-14)23-19-9-8-18(12-22-19)24-20(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyVDOSRSHIOCMHPU-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
3-fluoro-N-[5-(3-fluoroanilino)-2-pyridinyl]benzamide
CID 113035868
N-[6-(3-acetylanilino)-3-pyridinyl]-2-chlorobenzamide
CID 113020334
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
N-[6-(3-acetylanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113020338
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-(3-acetylphenyl)-6-(4-ethylanilino)pyridine-3-carboxamide
CID 109162858
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide?
The IUPAC name of N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide (CID 113020314) is N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide.
What is the SMILES notation for N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide?
The canonical SMILES for N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cn2)c1.
What is the InChIKey of N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide?
The InChIKey is VDOSRSHIOCMHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13(25)14-4-3-7-17(11-14)23-19-9-8-18(12-22-19)24-20(26)15-5-2-6-16(21)10-15/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide?
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide has a molecular weight of 349.37 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide is sourced from PubChem (CID 113020314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).