N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide

C21H16F2N2O2 — CID 112988151

IUPACN-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C21H16F2N2O2/c1-13(26)14-3-2-4-18(11-14)24-16-6-8-17(9-7-16)25-21(27)15-5-10-19(22)20(23)12-15/h2-12,24H,1H3,(H,25,27)
InChIKeyMWGQLQFGNFHOAY-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.16
Rot. Bonds5

About N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide

N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide (PubChem CID 112988151) has the molecular formula C21H16F2N2O2 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
PubChem CID112988151
Molecular FormulaC21H16F2N2O2
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide
SMILESCC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C21H16F2N2O2/c1-13(26)14-3-2-4-18(11-14)24-16-6-8-17(9-7-16)25-21(27)15-5-10-19(22)20(23)12-15/h2-12,24H,1H3,(H,25,27)
InChIKeyMWGQLQFGNFHOAY-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-acetylanilino)phenyl]benzamide
CID 112988119
N-[4-(3-acetylanilino)phenyl]-3,4-dimethylbenzamide
CID 112988131
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017
N-[4-(3,4-dimethoxyanilino)phenyl]-3,4-difluorobenzamide
CID 112988010
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117
methyl 3-[[5-[(3,4-difluorobenzoyl)amino]-2-pyridinyl]amino]benzoate
CID 113020698
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
5-acetyl-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 118684023

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide (CID 112988151) is N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide is CC(=O)c1cccc(Nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)c1.
What is the InChIKey of N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide?
The InChIKey is MWGQLQFGNFHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O2/c1-13(26)14-3-2-4-18(11-14)24-16-6-8-17(9-7-16)25-21(27)15-5-10-19(22)20(23)12-15/h2-12,24H,1H3,(H,25,27).
What are the key properties of N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide?
N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide has a molecular weight of 366.37 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetylanilino)phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 112988151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).