2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide

C23H19F2NO2 — CID 148674370

IUPAC2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
SMILESO=C(Nc1cc(F)ccc1C(=O)CCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C23H19F2NO2/c24-17-13-14-19(22(27)12-6-9-16-7-2-1-3-8-16)21(15-17)26-23(28)18-10-4-5-11-20(18)25/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,26,28)
InChIKeyNQISGJVVQOVLJV-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.42
Rot. Bonds7

About 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide

2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide (PubChem CID 148674370) has the molecular formula C23H19F2NO2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
PubChem CID148674370
Molecular FormulaC23H19F2NO2
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide
SMILESO=C(Nc1cc(F)ccc1C(=O)CCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C23H19F2NO2/c24-17-13-14-19(22(27)12-6-9-16-7-2-1-3-8-16)21(15-17)26-23(28)18-10-4-5-11-20(18)25/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,26,28)
InChIKeyNQISGJVVQOVLJV-UHFFFAOYSA-N
XLogP5.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]benzamide;2-fluoro-N-[5-methoxy-2-(4-phenylbutanoyl)phenyl]benzamide;N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]-4-methoxybenzamide;2-methoxy-N-[2-methoxy-6-(4-phenylbutanoyl)phenyl]benzamide;4-methoxy-N-[5-methoxy-2-(4-phenylbutanoyl)phenyl]benzamide
CID 158884223
1-(2,4-difluorophenyl)-4-phenylbutan-1-one
CID 63084036
N-(2,4-difluorophenyl)-2-(3-phenylpropyl)benzamide
CID 87114822
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-[2-(4-phenylbutanoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 147729702
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
4-(2-fluorophenyl)-4-oxo-N-(3-phenylpropyl)butanamide
CID 110414975
2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
4-chloro-3-[(2-fluorobenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 1228449
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide (CID 148674370) is 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide is O=C(Nc1cc(F)ccc1C(=O)CCCc1ccccc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide?
The InChIKey is NQISGJVVQOVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO2/c24-17-13-14-19(22(27)12-6-9-16-7-2-1-3-8-16)21(15-17)26-23(28)18-10-4-5-11-20(18)25/h1-5,7-8,10-11,13-15H,6,9,12H2,(H,26,28).
What are the key properties of 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide?
2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide has a molecular weight of 379.41 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-fluoro-2-(4-phenylbutanoyl)phenyl]benzamide is sourced from PubChem (CID 148674370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).