benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate

C17H15F2NO2 — CID 169471167

IUPACbenzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(F)cc(F)c1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO2/c18-15-9-14(10-16(19)11-15)7-4-8-20-17(21)22-12-13-5-2-1-3-6-13/h1-7,9-11H,8,12H2,(H,20,21)
InChIKeyKKMIRWSGVPUUBX-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.90
Rot. Bonds5

About benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate

benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate (PubChem CID 169471167) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
PubChem CID169471167
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namebenzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1cc(F)cc(F)c1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO2/c18-15-9-14(10-16(19)11-15)7-4-8-20-17(21)22-12-13-5-2-1-3-6-13/h1-7,9-11H,8,12H2,(H,20,21)
InChIKeyKKMIRWSGVPUUBX-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-(3,5-difluorophenyl)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-[3-[3-fluoro-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472117
2,6-difluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472166
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136
benzyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471202
benzyl N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472106
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-[3-methyl-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472094
benzyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169471954
benzyl N-[3-(4-amino-3-chloro-5-methylphenyl)prop-2-enyl]carbamate
CID 169471613
benzyl N-[3-[4-fluoro-2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471475

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate (CID 169471167) is benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1cc(F)cc(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate?
The InChIKey is KKMIRWSGVPUUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-15-9-14(10-16(19)11-15)7-4-8-20-17(21)22-12-13-5-2-1-3-6-13/h1-7,9-11H,8,12H2,(H,20,21).
What are the key properties of benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate?
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate has a molecular weight of 303.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).