2-bromo-4-chloro-N-(2-ethylbutyl)benzamide

C13H17BrClNO — CID 113257506

IUPAC2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeySNPGORPHIZZQAN-UHFFFAOYSA-N
MW318.64 g/mol
LogP4.27
Rot. Bonds5

About 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide

2-bromo-4-chloro-N-(2-ethylbutyl)benzamide (PubChem CID 113257506) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
PubChem CID113257506
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
SMILESCCC(CC)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H17BrClNO/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17)
InChIKeySNPGORPHIZZQAN-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

2,4-dichloro-N-(2-ethylbutyl)benzamide
CID 84513268
2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
CID 107994234
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2,4-dichloro-N-(4-chloro-2-ethylbutyl)benzamide
CID 113273748
4-[(2-bromo-4-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 114024394
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
CID 103764241
4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
N-(2-amino-2-ethylbutyl)-2-bromo-4-chlorobenzamide;hydrochloride
CID 119642321

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide (CID 113257506) is 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide is CCC(CC)CNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide?
The InChIKey is SNPGORPHIZZQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-3-9(4-2)8-16-13(17)11-6-5-10(15)7-12(11)14/h5-7,9H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(2-ethylbutyl)benzamide?
2-bromo-4-chloro-N-(2-ethylbutyl)benzamide has a molecular weight of 318.64 g/mol, XLogP of 4.27, 5 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-ethylbutyl)benzamide is sourced from PubChem (CID 113257506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).