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

C10H12ClNO3 — CID 14496172

IUPACmethyl N-[2-(3-chlorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyMGUOEIQFAPYYJM-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.07
Rot. Bonds4

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

methyl N-[2-(3-chlorophenoxy)ethyl]carbamate (PubChem CID 14496172) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl N-[2-(3-chlorophenoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-chlorophenoxy)ethyl]carbamate
PubChem CID14496172
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl N-[2-(3-chlorophenoxy)ethyl]carbamate
SMILESCOC(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyMGUOEIQFAPYYJM-UHFFFAOYSA-N
XLogP2.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
methyl N-[2-[(3-chlorophenyl)methoxy]ethyl]carbamate
CID 14496167
1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-4-methylpentanamide;hydrochloride
CID 119735014
N-[2-(3-chlorophenoxy)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 55716988
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-chlorophenoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(3-chlorophenoxy)ethyl]carbamate (CID 14496172) is methyl N-[2-(3-chlorophenoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-chlorophenoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(3-chlorophenoxy)ethyl]carbamate is COC(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of methyl N-[2-(3-chlorophenoxy)ethyl]carbamate?
The InChIKey is MGUOEIQFAPYYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-10(13)12-5-6-15-9-4-2-3-8(11)7-9/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of methyl N-[2-(3-chlorophenoxy)ethyl]carbamate?
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate has a molecular weight of 229.66 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-chlorophenoxy)ethyl]carbamate is sourced from PubChem (CID 14496172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).