benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate

C18H18FNO2 — CID 169471121

IUPACbenzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cccc(F)c1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c1-14-7-5-11-17(19)16(14)10-6-12-20-18(21)22-13-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNYFUVZBPEVGWRJ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.07
Rot. Bonds5

About benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate

benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169471121) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate
PubChem CID169471121
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Namebenzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cccc(F)c1C=CCNC(=O)OCc1ccccc1
InChIInChI=1S/C18H18FNO2/c1-14-7-5-11-17(19)16(14)10-6-12-20-18(21)22-13-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,20,21)
InChIKeyNYFUVZBPEVGWRJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzyl N-[3-(2-fluoro-6-methylphenyl)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-(2-bromo-6-fluoro-3-methylphenyl)prop-2-enyl]carbamate
CID 169472805
benzyl N-[3-(4-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
benzyl N-[4-(2-fluoro-6-hydroxyphenyl)but-3-enyl]carbamate
CID 170493624
benzyl N-[3-(3-methyl-2-nitrophenyl)prop-2-enyl]carbamate
CID 169472063
benzyl N-[3-(3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169471167
benzyl N-[3-(2,4-difluorophenyl)prop-2-enyl]carbamate
CID 169471158
benzyl N-[3-(4-fluoronaphthalen-1-yl)prop-2-enyl]carbamate
CID 169472312
2,6-difluoro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472166
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
benzyl N-[3-(5-amino-2-methylphenyl)prop-2-enyl]carbamate
CID 169471314
benzyl N-[3-(2-fluoro-4-iodo-3-pyridinyl)prop-2-enyl]carbamate
CID 169472949
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate (CID 169471121) is benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate is Cc1cccc(F)c1C=CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is NYFUVZBPEVGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-14-7-5-11-17(19)16(14)10-6-12-20-18(21)22-13-15-8-3-2-4-9-15/h2-11H,12-13H2,1H3,(H,20,21).
What are the key properties of benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 299.34 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2-fluoro-6-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).