methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate

C11H14ClNO2 — CID 144705758

IUPACmethyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-13(11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChIKeyRLTGZMBEFILPHV-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.58
Rot. Bonds3

About methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate

methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate (PubChem CID 144705758) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate
PubChem CID144705758
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate
SMILESCOC(=O)N(C)CCc1ccccc1Cl
InChIInChI=1S/C11H14ClNO2/c1-13(11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChIKeyRLTGZMBEFILPHV-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[(2-chlorophenyl)methylamino]ethyl]-N-methylcarbamate
CID 103638800
(2-chlorophenyl) N-(2-aminoethyl)-N-methylcarbamate
CID 83823724
methyl N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylcarbamate
CID 115190775
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
methyl (Z)-6-(2-chlorophenyl)-2-hydroxy-4-oxohex-2-enoate
CID 59054684
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
methyl 5-(2-chlorophenyl)-3-methoxypent-2-enoate
CID 54022305
3-(2-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82725506
3-[[(2-chlorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 61415066
3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902164

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate?
The IUPAC name of methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate (CID 144705758) is methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate is COC(=O)N(C)CCc1ccccc1Cl.
What is the InChIKey of methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate?
The InChIKey is RLTGZMBEFILPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-13(11(14)15-2)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3.
What are the key properties of methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate?
methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate has a molecular weight of 227.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-chlorophenyl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 144705758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).