benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate

C23H20FNO3 — CID 12000243

IUPACbenzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESO=C(NC(CC(=O)c1ccccc1)c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H20FNO3/c24-20-13-11-18(12-14-20)21(15-22(26)19-9-5-2-6-10-19)25-23(27)28-16-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,25,27)
InChIKeyBMNTZRBZBISMDA-UHFFFAOYSA-N
MW377.42 g/mol
LogP5.07
Rot. Bonds7

About benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate

benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate (PubChem CID 12000243) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
PubChem CID12000243
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Namebenzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate
SMILESO=C(NC(CC(=O)c1ccccc1)c1ccc(F)cc1)OCc1ccccc1
InChIInChI=1S/C23H20FNO3/c24-20-13-11-18(12-14-20)21(15-22(26)19-9-5-2-6-10-19)25-23(27)28-16-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,25,27)
InChIKeyBMNTZRBZBISMDA-UHFFFAOYSA-N
XLogP5.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 102386370
methyl (3R)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 11833969
[2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 126007466
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
(3R)-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 7062378
benzyl N-(4-chloro-3-oxo-1-phenylbutyl)carbamate;1,3-dichloropropan-2-one
CID 157156097
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
5-(4-fluorophenyl)-4-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 103819682
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 7923583
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate (CID 12000243) is benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate is O=C(NC(CC(=O)c1ccccc1)c1ccc(F)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate?
The InChIKey is BMNTZRBZBISMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO3/c24-20-13-11-18(12-14-20)21(15-22(26)19-9-5-2-6-10-19)25-23(27)28-16-17-7-3-1-4-8-17/h1-14,21H,15-16H2,(H,25,27).
What are the key properties of benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate?
benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate has a molecular weight of 377.42 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(4-fluorophenyl)-3-oxo-3-phenylpropyl]carbamate is sourced from PubChem (CID 12000243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).