2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate

C17H18ClNO3 — CID 6735895

IUPAC2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CNC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-16-9-5-3-7-14(16)12-19-17(20)22-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyPIJRWDRULCNGGV-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.82
Rot. Bonds6

About 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate

2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate (PubChem CID 6735895) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
PubChem CID6735895
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate
SMILESCOc1ccccc1CNC(=O)OCCc1ccccc1Cl
InChIInChI=1S/C17H18ClNO3/c1-21-16-9-5-3-7-14(16)12-19-17(20)22-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyPIJRWDRULCNGGV-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108897450
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-(2-fluorophenyl)ethyl N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 6736700
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730
2-[4-[(2-methoxyphenyl)methyl]phenyl]ethyl N-ethylcarbamate
CID 70466936
2-(2-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 2342913
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate?
The IUPAC name of 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate (CID 6735895) is 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate is COc1ccccc1CNC(=O)OCCc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate?
The InChIKey is PIJRWDRULCNGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-21-16-9-5-3-7-14(16)12-19-17(20)22-11-10-13-6-2-4-8-15(13)18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate?
2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate has a molecular weight of 319.79 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl N-[(2-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 6735895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).