N-(2-bromo-4-methylpentyl)benzamide

C13H18BrNO — CID 107157861

IUPACN-(2-bromo-4-methylpentyl)benzamide
SMILESCC(C)CC(Br)CNC(=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-10(2)8-12(14)9-15-13(16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyVQKKSSAENQXITL-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.23
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)benzamide

N-(2-bromo-4-methylpentyl)benzamide (PubChem CID 107157861) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)benzamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)benzamide
PubChem CID107157861
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(2-bromo-4-methylpentyl)benzamide
SMILESCC(C)CC(Br)CNC(=O)c1ccccc1
InChIInChI=1S/C13H18BrNO/c1-10(2)8-12(14)9-15-13(16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16)
InChIKeyVQKKSSAENQXITL-UHFFFAOYSA-N
XLogP3.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.23
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-4-methylpentyl)-4-chlorobenzamide
CID 107157900
N-(2-bromo-4-methylpentyl)-3-iodobenzamide
CID 107157571
N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609
3-bromo-N-(2-bromo-4-methylpentyl)-4-methylbenzamide
CID 107157706
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
4-benzamido-3-methylbutanoic acid
CID 81064617
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
N-(3-amino-2-methyl-3-sulfanylidenepropyl)benzamide
CID 62668191
N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
CID 107157654
N'-[(2R)-4-methylpentan-2-yl]benzohydrazide
CID 134953051

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)benzamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)benzamide (CID 107157861) is N-(2-bromo-4-methylpentyl)benzamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)benzamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)benzamide is CC(C)CC(Br)CNC(=O)c1ccccc1.
What is the InChIKey of N-(2-bromo-4-methylpentyl)benzamide?
The InChIKey is VQKKSSAENQXITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10(2)8-12(14)9-15-13(16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-bromo-4-methylpentyl)benzamide?
N-(2-bromo-4-methylpentyl)benzamide has a molecular weight of 284.20 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)benzamide is sourced from PubChem (CID 107157861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).