3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate

C19H22ClNO2 — CID 6734048

IUPAC3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(CCOC(=O)NCCC1=CC=CC=C1Cl)C2=CC=CC=C2
InChIInChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyMTOKSYOFJVEHPR-UHFFFAOYSA-N
MW331.80 g/mol
LogP5.20
Rot. Bonds8

About 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate

3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate (PubChem CID 6734048) has the molecular formula C19H22ClNO2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
PubChem CID6734048
Molecular FormulaC19H22ClNO2
Molecular Weight331.80 g/mol
Exact Mass331.13
IUPAC Name3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(CCOC(=O)NCCC1=CC=CC=C1Cl)C2=CC=CC=C2
InChIInChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22)
InChIKeyMTOKSYOFJVEHPR-UHFFFAOYSA-N
XLogP5.20
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity344

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.80
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]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

Ethyl-carbamic acid (3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-ylmethyl ester
CID 11392768
ethyl N-[(4-chlorophenyl)-phenylmethyl]carbamate
CID 50917500
ethyl N-[2-(2-chloro-6-fluorophenyl)ethyl]carbamate
CID 2804989
(2-chlorophenyl)methyl N-[(E)-1-phenylhept-2-enyl]carbamate
CID 5771793
2-(2-chlorophenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
CID 6736788
[3-(2-Chloro-5-fluorophenyl)-1-(methylamino)-4-phenylbutyl] decanoate
CID 67944363
3-(3-bromophenyl)butyl N-[4-(4-chlorophenyl)-3-fluorobutyl]carbamate
CID 68853307
[2-(3'-Chloro-4'-fluoro-biphenyl-4-yl)-1-methoxymethyl-ethyl]-carbamic acid tert-butyl ester
CID 68869448
tert-butyl N-[(2R)-1-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropan-2-yl]carbamate
CID 69205039
tert-butyl N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-methoxypropyl]carbamate
CID 69533525
tert-butyl N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-3-hydroxypropyl]carbamate
CID 69533532
[1-(2-chlorophenyl)-1-fluorooxypropan-2-yl] N-cyclohexylcarbamate
CID 144705795

Frequently Asked Questions

What is the IUPAC name of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate (CID 6734048) is 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate is CC(CCOC(=O)NCCC1=CC=CC=C1Cl)C2=CC=CC=C2.
What is the InChIKey of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is MTOKSYOFJVEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-15(16-7-3-2-4-8-16)12-14-23-19(22)21-13-11-17-9-5-6-10-18(17)20/h2-10,15H,11-14H2,1H3,(H,21,22).
What are the key properties of 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate?
3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 331.80 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutyl N-[2-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 6734048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).