N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide

C20H16FN3O2 — CID 113020400

IUPACN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-4-8-17(9-5-14)23-19-11-10-18(12-22-19)24-20(26)15-2-6-16(21)7-3-15/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyQLSFNLRPBFBIDP-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.42
Rot. Bonds5

About N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide

N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide (PubChem CID 113020400) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
PubChem CID113020400
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
SMILESCC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1
InChIInChI=1S/C20H16FN3O2/c1-13(25)14-4-8-17(9-5-14)23-19-11-10-18(12-22-19)24-20(26)15-2-6-16(21)7-3-15/h2-12H,1H3,(H,22,23)(H,24,26)
InChIKeyQLSFNLRPBFBIDP-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-(4-acetylanilino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113020429
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
6-(4-acetylanilino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109164503
N-[6-(4-acetylanilino)-3-pyridinyl]-2-methylbenzamide
CID 113020395
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
6-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163316
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide?
The IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide (CID 113020400) is N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide.
What is the SMILES notation for N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide?
The canonical SMILES for N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide is CC(=O)c1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide?
The InChIKey is QLSFNLRPBFBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-13(25)14-4-8-17(9-5-14)23-19-11-10-18(12-22-19)24-20(26)15-2-6-16(21)7-3-15/h2-12H,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide?
N-[6-(4-acetylanilino)-3-pyridinyl]-4-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-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide is sourced from PubChem (CID 113020400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).