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

C13H17BrClNO — CID 103461936

IUPAC3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-4-13(2,3)8-16-12(17)9-6-5-7-10(14)11(9)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyGVCNTTRZFIWMAR-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.27
Rot. Bonds4

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

3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide (PubChem CID 103461936) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
PubChem CID103461936
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H17BrClNO/c1-4-13(2,3)8-16-12(17)9-6-5-7-10(14)11(9)15/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyGVCNTTRZFIWMAR-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
N-(2,2-dimethylbutyl)-2-hydroxybenzamide
CID 103461996
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 113363834
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
3-bromo-2-chloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465788
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide (CID 103461936) is 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide is CCC(C)(C)CNC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide?
The InChIKey is GVCNTTRZFIWMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-4-13(2,3)8-16-12(17)9-6-5-7-10(14)11(9)15/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide?
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide is sourced from PubChem (CID 103461936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).