(4-chlorophenyl)methyl N,N-dimethylcarbamate

C10H12ClNO2 — CID 12963457

IUPAC(4-chlorophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyJBQREOYXTVACIL-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.54
Rot. Bonds2

About (4-chlorophenyl)methyl N,N-dimethylcarbamate

(4-chlorophenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963457) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4-chlorophenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl N,N-dimethylcarbamate
PubChem CID12963457
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4-chlorophenyl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3
InChIKeyJBQREOYXTVACIL-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

benzyl N,N-dimethylcarbamate
CID 12963450
4-(dimethylcarbamoyloxymethyl)benzoic acid
CID 175337279
(4-chlorophenyl)methyl 3-amino-3-(dimethylamino)prop-2-enoate
CID 70611818
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
(4-chlorophenyl)methyl N-(dimethylaminodisulfanyl)carbamate
CID 21150798
(4-chlorophenyl)methyl 2-aminopentanoate
CID 65126938
(4-chlorophenyl)methyl 3-methylpentanoate
CID 102077326
[4-[2-(4-chlorophenoxy)propanoyloxymethyl]phenyl]methyl 2-(4-chlorophenoxy)propanoate
CID 23737520
(4-chlorophenyl)methyl (2S)-2-amino-3-methylpentanoate
CID 65127089
(4-chlorophenyl)methyl 2-chloro-2,2-difluoroacetate
CID 10354991
2-(4-chloro-N-phenylmethoxycarbonylanilino)acetic acid
CID 60825920

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (4-chlorophenyl)methyl N,N-dimethylcarbamate (CID 12963457) is (4-chlorophenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (4-chlorophenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (4-chlorophenyl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl N,N-dimethylcarbamate?
The InChIKey is JBQREOYXTVACIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-12(2)10(13)14-7-8-3-5-9(11)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl N,N-dimethylcarbamate?
(4-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 (4-chlorophenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).