2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide

C10H11BrClNO — CID 138393853

IUPAC2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-13(2)10(14)5-7-3-4-8(11)6-9(7)12/h3-4,6H,5H2,1-2H3
InChIKeyHOLNMSLPDIQLTG-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide

2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide (PubChem CID 138393853) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
PubChem CID138393853
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC Name2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-13(2)10(14)5-7-3-4-8(11)6-9(7)12/h3-4,6H,5H2,1-2H3
InChIKeyHOLNMSLPDIQLTG-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N,N-dimethylacetamide
CID 4631595
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
4-Bromo-2-chloro-N,N-dimethylbenzamide
CID 46739774
2-(2-bromo-4-chlorophenyl)-N-methylacetamide
CID 66545291
3-(4-bromophenyl)-N,N-dimethylpropanamide
CID 57762821
4-bromo-2-chloro-N,N-diethyl-6-fluorobenzamide
CID 59725695
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroacetamide
CID 91927015
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroacetamide;ethane
CID 144851024
2-(2-bromo-4-chloro-3-fluorophenyl)-N-methoxy-N-methylacetamide
CID 153616359
4-bromo-2-chloro-N-methyl-N-(4,4,4-trifluorobutyl)benzamide
CID 166030746
2-(2-chlorophenyl)-N,N-dimethylacetamide
CID 13025061
4-Bromo-2-chloro-N,N-bis(1-methylethyl)benzamide
CID 129889287

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide (CID 138393853) is 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide?
The InChIKey is HOLNMSLPDIQLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-13(2)10(14)5-7-3-4-8(11)6-9(7)12/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide?
2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide has a molecular weight of 276.56 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 138393853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).