N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide

C23H21FN2O2 — CID 7312055

IUPACN-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H21FN2O2/c1-2-19(16-8-4-3-5-9-16)22(27)26-21-11-7-6-10-20(21)23(28)25-18-14-12-17(24)13-15-18/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyLKZOCFKQPGMZJJ-IBGZPJMESA-N
MW376.43 g/mol
LogP5.21
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide

N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide (PubChem CID 7312055) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
PubChem CID7312055
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC NameN-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
SMILESCC[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H21FN2O2/c1-2-19(16-8-4-3-5-9-16)22(27)26-21-11-7-6-10-20(21)23(28)25-18-14-12-17(24)13-15-18/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1
InChIKeyLKZOCFKQPGMZJJ-IBGZPJMESA-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

2-[[(2R)-2-phenylbutanoyl]amino]benzoate
CID 6957947
(2R)-N-(2-fluorophenyl)-2-phenylbutanamide
CID 7313846
N-(2-fluorophenyl)-2-phenylbutanamide
CID 3897268
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
CID 4063342
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide (CID 7312055) is N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide is CC[C@H](C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide?
The InChIKey is LKZOCFKQPGMZJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-2-19(16-8-4-3-5-9-16)22(27)26-21-11-7-6-10-20(21)23(28)25-18-14-12-17(24)13-15-18/h3-15,19H,2H2,1H3,(H,25,28)(H,26,27)/t19-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]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-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide is sourced from PubChem (CID 7312055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).