(3-chlorophenyl)methyl N,N-dimethylcarbamate

C10H12ClNO2 — CID 12963456

IUPAC(3-chlorophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3
InChIKeyLGRLMVJGYCYQKQ-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.54
Rot. Bonds2

About (3-chlorophenyl)methyl N,N-dimethylcarbamate

(3-chlorophenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963456) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (3-chlorophenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl N,N-dimethylcarbamate
PubChem CID12963456
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(3-chlorophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3
InChIKeyLGRLMVJGYCYQKQ-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dichlorobenzyl methylcarbamate
CID 43882
Dichlormate
CID 16072
Benzyl dimethylcarbamate
CID 12963450
1-(2-Chlorophenyl)propyl hydrogen carbonimidate
CID 15534
(3-methylphenyl)methyl N,N-dimethylcarbamate
CID 21679969
[(1R)-1-(3-chlorophenyl)propyl] acetate
CID 44128246
(4-Fluorophenyl)methyl dimethylcarbamate
CID 12963452
(4-Methylphenyl)methyl dimethylcarbamate
CID 12963451
(4-Chlorophenyl)methyl dimethylcarbamate
CID 12963457
(3-Chlorophenyl)methyl chloroformate
CID 13292923
1-Chloro-3-(trimethoxymethyl)benzene
CID 61803212
P-Iodobenzyl N,N-dime carbamate
CID 12963464

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (3-chlorophenyl)methyl N,N-dimethylcarbamate (CID 12963456) is (3-chlorophenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (3-chlorophenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (3-chlorophenyl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl N,N-dimethylcarbamate?
The InChIKey is LGRLMVJGYCYQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3.
What are the key properties of (3-chlorophenyl)methyl N,N-dimethylcarbamate?
(3-chlorophenyl)methyl N,N-dimethylcarbamate has a molecular weight of 213.66 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).