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

C15H21Br2NO — CID 106288005

IUPAC4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21Br2NO/c1-4-11(5-2)14(17)9-18-15(19)12-6-7-13(16)10(3)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyZDMOGJPENJMGLN-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.69
Rot. Bonds6

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

4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide (PubChem CID 106288005) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
PubChem CID106288005
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC Name4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
SMILESCCC(CC)C(Br)CNC(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H21Br2NO/c1-4-11(5-2)14(17)9-18-15(19)12-6-7-13(16)10(3)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyZDMOGJPENJMGLN-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.69
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

3-bromo-N-(2-bromo-3-ethylpentyl)-4-fluorobenzamide
CID 106288362
4-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168864
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
N-(2-bromo-3-ethylpentyl)naphthalene-2-carboxamide
CID 106288101
N-(2-bromo-3-ethylpentyl)-3,4-dimethoxybenzamide
CID 106288438
4-[(4-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 113396656
N-(2-bromo-3-ethylpentyl)-4-(trifluoromethyl)benzamide
CID 106288527
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
N-(2-bromo-3-ethylpentyl)-3-fluoro-4-methoxybenzamide
CID 106288554
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
N-(2-bromo-3-ethylpentyl)-3-(trifluoromethyl)benzamide
CID 106288561

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide (CID 106288005) is 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide is CCC(CC)C(Br)CNC(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide?
The InChIKey is ZDMOGJPENJMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-4-11(5-2)14(17)9-18-15(19)12-6-7-13(16)10(3)8-12/h6-8,11,14H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide?
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide has a molecular weight of 391.15 g/mol, XLogP of 4.69, 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)-3-methylbenzamide is sourced from PubChem (CID 106288005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).