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

C10H12ClNO2 — CID 897069

IUPACmethyl N-[2-(3-chlorophenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)12-6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyUUYWCADMDYCGSA-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.24
Rot. Bonds3

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

methyl N-[2-(3-chlorophenyl)ethyl]carbamate (PubChem CID 897069) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is methyl N-[2-(3-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-chlorophenyl)ethyl]carbamate
PubChem CID897069
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Namemethyl N-[2-(3-chlorophenyl)ethyl]carbamate
SMILESCOC(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-14-10(13)12-6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyUUYWCADMDYCGSA-UHFFFAOYSA-N
XLogP2.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]carbamate
CID 112995851
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
tert-butyl N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111358247
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 43616522

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-chlorophenyl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(3-chlorophenyl)ethyl]carbamate (CID 897069) is methyl N-[2-(3-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-chlorophenyl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(3-chlorophenyl)ethyl]carbamate is COC(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of methyl N-[2-(3-chlorophenyl)ethyl]carbamate?
The InChIKey is UUYWCADMDYCGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-10(13)12-6-5-8-3-2-4-9(11)7-8/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of methyl N-[2-(3-chlorophenyl)ethyl]carbamate?
methyl N-[2-(3-chlorophenyl)ethyl]carbamate has a molecular weight of 213.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 897069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).