3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide

C13H17BrClNO — CID 107952489

IUPAC3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyCWAWWGAKXNMRTL-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.12
Rot. Bonds4

About 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide

3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide (PubChem CID 107952489) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
PubChem CID107952489
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide
SMILESCC(C)C(C)CNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H17BrClNO/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7H2,1-3H3,(H,16,17)
InChIKeyCWAWWGAKXNMRTL-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-bromo-5-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
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3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
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3-bromo-5-chloro-N-(2-phenylpropyl)benzamide
CID 107951717
5-[(3-bromo-5-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 107938301
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
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3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide (CID 107952489) is 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide is CC(C)C(C)CNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide?
The InChIKey is CWAWWGAKXNMRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-8(2)9(3)7-16-13(17)10-4-11(14)6-12(15)5-10/h4-6,8-9H,7H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide?
3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,3-dimethylbutyl)benzamide is sourced from PubChem (CID 107952489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).