(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate

C11H14ClNO2 — CID 6463817

IUPAC(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)cc(C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-7-5-9(6-8(2)10(7)12)15-11(14)13(3)4/h5-6H,1-4H3
InChIKeyMUFLZNRUWYJZCT-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.02
Rot. Bonds1

About (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate

(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate (PubChem CID 6463817) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate
PubChem CID6463817
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate
SMILESCc1cc(OC(=O)N(C)C)cc(C)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-7-5-9(6-8(2)10(7)12)15-11(14)13(3)4/h5-6H,1-4H3
InChIKeyMUFLZNRUWYJZCT-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbamic acid, methyl-, 4-chloro-m-tolyl ester
CID 75765
4-Chlorophenyl dimethylcarbamate
CID 350036
M-Tolyl dimethylcarbamate
CID 21680069
4-Chloro-3,5-dimethylphenyl 1-piperidinecarboxylate
CID 977021
4-Chloro-3,5-dimethylphenyl morpholine-4-carboxylate
CID 977157
4-Chloro-3,5-dimethylanisole
CID 598497
Phenol, 2,4-dichloro-5-ethyl-3-methyl-, 1-(N-methylcarbamate)
CID 12644
Carbamic acid, methyl-, 2,4-dichloro-3,5-dimethylphenyl ester
CID 120314
Carbamic acid, methyl-, 4-chloro-3,5-xylyl ester
CID 12653
Carbamic acid, methyl-, 2-chloro-3,5-xylyl ester
CID 17039
4-Chloro-3-methylphenyl dimethylcarbamate
CID 228188
3,5-Dimethylphenyl dimethylcarbamate
CID 76309313

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate?
The IUPAC name of (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate (CID 6463817) is (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate?
The canonical SMILES for (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate is Cc1cc(OC(=O)N(C)C)cc(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate?
The InChIKey is MUFLZNRUWYJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-5-9(6-8(2)10(7)12)15-11(14)13(3)4/h5-6H,1-4H3.
What are the key properties of (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate?
(4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate has a molecular weight of 227.69 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylphenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 6463817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).