2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide

C13H17BrClNO — CID 103764879

IUPAC2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyLIEFUZSFAVYNLF-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.41
Rot. Bonds4

About 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide

2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide (PubChem CID 103764879) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
PubChem CID103764879
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17)
InChIKeyLIEFUZSFAVYNLF-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-N-(2-methylpentan-2-yl)benzamide
CID 115598469
2-bromo-4-chloro-N-(1,3-dichloro-2-methylpropan-2-yl)benzamide
CID 107994107
2-bromo-4-chloro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825239
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2-fluoro-5-methyl-N-(2-methylpentan-2-yl)benzamide
CID 115605934
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343240
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119599263
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromo-4-chlorobenzamide
CID 113257326
4-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 62041969

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide (CID 103764879) is 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide is CCCC(C)(C)NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide?
The InChIKey is LIEFUZSFAVYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-4-7-13(2,3)16-12(17)10-6-5-9(15)8-11(10)14/h5-6,8H,4,7H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide?
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide is sourced from PubChem (CID 103764879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).