benzyl N-[3-(trifluoromethyl)phenyl]carbamate

C15H12F3NO2 — CID 5201332

IUPACbenzyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)12-7-4-8-13(9-12)19-14(20)21-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyKRTABQHKTWKZOZ-UHFFFAOYSA-N
MW295.26 g/mol
LogP4.45
Rot. Bonds3

About benzyl N-[3-(trifluoromethyl)phenyl]carbamate

benzyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 5201332) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is benzyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID5201332
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Namebenzyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1ccccc1
InChIInChI=1S/C15H12F3NO2/c16-15(17,18)12-7-4-8-13(9-12)19-14(20)21-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyKRTABQHKTWKZOZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-(trifluoromethyl)phenyl]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

2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
(4S)-5-oxo-4-(phenylmethoxycarbonylamino)-5-[3-(trifluoromethyl)anilino]pentanoic acid
CID 146629247
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
(2,4-dichlorophenyl)methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 4162168
N-phenylmethoxy-3-(trifluoromethyl)aniline
CID 154104774
(3R)-3-(phenylmethoxycarbonylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 93481059
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
benzyl N-(3-fluoro-4-tritylsulfanylphenyl)carbamate
CID 22714564
2-(2-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 118043131
benzyl N-(anilino-fluoro-phenylmethyl)carbamate
CID 4591645
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
dibenzyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 10503338

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 5201332) is benzyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cccc(C(F)(F)F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KRTABQHKTWKZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c16-15(17,18)12-7-4-8-13(9-12)19-14(20)21-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20).
What are the key properties of benzyl N-[3-(trifluoromethyl)phenyl]carbamate?
benzyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 295.26 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 5201332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).