N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide

C23H21FN2O2 — CID 55919521

IUPACN-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
SMILESCC(CC(=O)Nc1ccccc1NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-16(17-11-13-19(24)14-12-17)15-22(27)25-20-9-5-6-10-21(20)26-23(28)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyIDMXUAUWJSBGLR-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.21
Rot. Bonds6

About N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide

N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide (PubChem CID 55919521) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
PubChem CID55919521
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC NameN-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
SMILESCC(CC(=O)Nc1ccccc1NC(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H21FN2O2/c1-16(17-11-13-19(24)14-12-17)15-22(27)25-20-9-5-6-10-21(20)26-23(28)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyIDMXUAUWJSBGLR-UHFFFAOYSA-N
XLogP5.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
(4-benzamidophenyl) 3-(4-fluorophenyl)butanoate
CID 55923570
N-methyl-2-(3-phenylbutanoylamino)benzamide
CID 110606644
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
(2R)-2-[3-(4-fluorophenyl)butanoylamino]propanoic acid
CID 119244525
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-[4-(2,4-difluoroanilino)-4-oxobutan-2-yl]benzamide
CID 51195160
4-[3-(4-fluorophenyl)butanoylamino]-N-(2-methylbutan-2-yl)benzamide
CID 55920082

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide (CID 55919521) is N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide is CC(CC(=O)Nc1ccccc1NC(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide?
The InChIKey is IDMXUAUWJSBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-16(17-11-13-19(24)14-12-17)15-22(27)25-20-9-5-6-10-21(20)26-23(28)18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide?
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 55919521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).