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

C14H19Br2NO — CID 114168864

IUPAC4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQPAJLKABNCICPN-UHFFFAOYSA-N
MW377.12 g/mol
LogP4.38
Rot. Bonds6

About 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide

4-bromo-N-(2-bromo-3-ethylpentyl)benzamide (PubChem CID 114168864) has the molecular formula C14H19Br2NO and a molecular weight of 377.12 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
PubChem CID114168864
Molecular FormulaC14H19Br2NO
Molecular Weight377.12 g/mol
Exact Mass374.98
IUPAC Name4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyQPAJLKABNCICPN-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)-4-(trifluoromethyl)benzamide
CID 106288527
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
N-(2-bromo-3-ethylpentyl)-3-(difluoromethoxy)benzamide
CID 106288562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The IUPAC name of 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide (CID 114168864) is 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide is CCC(CC)C(Br)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
The InChIKey is QPAJLKABNCICPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO/c1-3-10(4-2)13(16)9-17-14(18)11-5-7-12(15)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide?
4-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 4-bromo-N-(2-bromo-3-ethylpentyl)benzamide is sourced from PubChem (CID 114168864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).