(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate

C9H9BrClNO2 — CID 62706612

IUPAC(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-12(2)9(13)14-8-5-6(11)3-4-7(8)10/h3-5H,1-2H3
InChIKeyQDIWQNHVHADKQH-UHFFFAOYSA-N
MW278.53 g/mol
LogP3.16
Rot. Bonds1

About (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate

(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate (PubChem CID 62706612) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
PubChem CID62706612
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO2/c1-12(2)9(13)14-8-5-6(11)3-4-7(8)10/h3-5H,1-2H3
InChIKeyQDIWQNHVHADKQH-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-5-chlorophenyl) carbamate
CID 174508201
(2-bromo-4-methylphenyl) N,N-dimethylcarbamate
CID 125485280
2-bromo-5-chloro-N,N-dimethylbenzamide
CID 78851053
[5-chloro-2-[(E)-1,2-diphenylethenyl]phenyl] N,N-dimethylcarbamate
CID 71615857
[4-chloro-2-[(4-fluorophenyl)carbamoyl]phenyl] N,N-dimethylcarbamate
CID 118707131
(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate
CID 102226653
(6-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
CID 2726311
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
(4-amino-3-bromophenyl) N,N-dimethylcarbamate
CID 156649219
N-[2-(2-bromo-5-chlorophenoxy)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 134869768
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103611936

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate?
The IUPAC name of (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate (CID 62706612) is (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate.
What is the SMILES notation for (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate?
The canonical SMILES for (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate?
The InChIKey is QDIWQNHVHADKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-12(2)9(13)14-8-5-6(11)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate?
(2-bromo-5-chlorophenyl) N,N-dimethylcarbamate has a molecular weight of 278.53 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl) N,N-dimethylcarbamate is sourced from PubChem (CID 62706612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).