2-bromo-N-(2-bromo-3-ethylpentyl)benzamide

C14H19Br2NO — CID 114168800

IUPAC2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-7-5-6-8-12(11)15/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRGTPRGVTAYTSNF-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.38
Rot. Bonds6

About 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide

2-bromo-N-(2-bromo-3-ethylpentyl)benzamide (PubChem CID 114168800) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
PubChem CID114168800
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccccc1Br
InChIInChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-7-5-6-8-12(11)15/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyRGTPRGVTAYTSNF-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.12
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-ethylpentyl)-2-ethoxybenzamide
CID 106288292
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
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CID 2287218
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
N-(2-bromo-3-ethylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 114168757
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
2-bromo-N-(4-chloro-2-methylbutyl)benzamide
CID 114305988
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
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CID 114298631

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The IUPAC name of 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide (CID 114168800) is 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide is CCC(CC)C(Br)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The InChIKey is RGTPRGVTAYTSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-7-5-6-8-12(11)15/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide has a molecular weight of 377.12 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromo-3-ethylpentyl)benzamide is sourced from PubChem (CID 114168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).