benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate

C19H18F3NO2 — CID 169472094

IUPACbenzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESCc1cc(C=CCNC(=O)OCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2/c1-14-10-16(12-17(11-14)19(20,21)22)8-5-9-23-18(24)25-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,23,24)
InChIKeyYJPFPABZZONMJE-UHFFFAOYSA-N
MW349.35 g/mol
LogP4.95
Rot. Bonds5

About benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate

benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate (PubChem CID 169472094) has the molecular formula C19H18F3NO2 and a molecular weight of 349.35 g/mol. Its IUPAC name is benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
PubChem CID169472094
Molecular FormulaC19H18F3NO2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Namebenzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
SMILESCc1cc(C=CCNC(=O)OCc2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3NO2/c1-14-10-16(12-17(11-14)19(20,21)22)8-5-9-23-18(24)25-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,23,24)
InChIKeyYJPFPABZZONMJE-UHFFFAOYSA-N
XLogP4.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]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-[4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494524
benzyl N-[3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472117
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]-5-(trifluoromethoxy)benzoic acid
CID 169472586
benzyl N-[3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169472177
benzyl N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472106
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
benzyl N-[4-[3-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170494545
2,6-difluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472166
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(4-amino-3-chloro-5-methylphenyl)prop-2-enyl]carbamate
CID 169471613
benzyl N-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169472204

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate (CID 169472094) is benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate is Cc1cc(C=CCNC(=O)OCc2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
The InChIKey is YJPFPABZZONMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO2/c1-14-10-16(12-17(11-14)19(20,21)22)8-5-9-23-18(24)25-13-15-6-3-2-4-7-15/h2-8,10-12H,9,13H2,1H3,(H,23,24).
What are the key properties of benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate?
benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate has a molecular weight of 349.35 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate is sourced from PubChem (CID 169472094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).