2-bromo-5-chloro-N,N-dimethylbenzamide

C9H9BrClNO — CID 78851053

IUPAC2-bromo-5-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO/c1-12(2)9(13)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3
InChIKeyOSLSDPUPJZAPJR-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.80
Rot. Bonds1

About 2-bromo-5-chloro-N,N-dimethylbenzamide

2-bromo-5-chloro-N,N-dimethylbenzamide (PubChem CID 78851053) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-5-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N,N-dimethylbenzamide
PubChem CID78851053
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-5-chloro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(Cl)ccc1Br
InChIInChI=1S/C9H9BrClNO/c1-12(2)9(13)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3
InChIKeyOSLSDPUPJZAPJR-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylbenzamide
CID 103611936
2-bromo-5-chloro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 113221937
2-bromo-5-chloro-N,N-dipropylbenzamide
CID 78849542
2-bromo-N,N-dimethyl-5-propan-2-ylbenzamide
CID 58917000
N-(3-amino-2,2-dimethylpropyl)-2-bromo-5-chloro-N-methylbenzamide;hydrochloride
CID 119656122
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
methyl 4-[(2-bromo-5-chlorobenzoyl)-methylamino]butanoate
CID 78850133
3-[(2-bromo-5-chlorobenzoyl)-ethylamino]propanoic acid
CID 75516401
3-[(2-bromo-5-chlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 103925591
4-(2-bromo-5-chlorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79415115
3-bromo-5-chloro-N,N-dimethyl-2-(methylamino)benzamide
CID 155666927
2-bromo-5-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]benzamide
CID 104928067

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N,N-dimethylbenzamide?
The IUPAC name of 2-bromo-5-chloro-N,N-dimethylbenzamide (CID 78851053) is 2-bromo-5-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 2-bromo-5-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 2-bromo-5-chloro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N,N-dimethylbenzamide?
The InChIKey is OSLSDPUPJZAPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-12(2)9(13)7-5-6(11)3-4-8(7)10/h3-5H,1-2H3.
What are the key properties of 2-bromo-5-chloro-N,N-dimethylbenzamide?
2-bromo-5-chloro-N,N-dimethylbenzamide has a molecular weight of 262.53 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 78851053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).