N-(5-bromo-4-methylpentyl)-4-chlorobenzamide

C13H17BrClNO — CID 106157415

IUPACN-(5-bromo-4-methylpentyl)-4-chlorobenzamide
SMILESCC(CBr)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17BrClNO/c1-10(9-14)3-2-8-16-13(17)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyZRZZXTBUTLOMLR-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.88
Rot. Bonds6

About N-(5-bromo-4-methylpentyl)-4-chlorobenzamide

N-(5-bromo-4-methylpentyl)-4-chlorobenzamide (PubChem CID 106157415) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-4-chlorobenzamide
PubChem CID106157415
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC NameN-(5-bromo-4-methylpentyl)-4-chlorobenzamide
SMILESCC(CBr)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17BrClNO/c1-10(9-14)3-2-8-16-13(17)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyZRZZXTBUTLOMLR-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
4-[(4-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 80538177
N-(5-bromo-4-methylpentyl)pyridine-2-carboxamide
CID 106157892
N-(5-bromo-4-methylpentyl)-3-cyanobenzamide
CID 106157456
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-(5-bromo-4-methylpentyl)-1-methylpyrazole-4-carboxamide
CID 106157531

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-4-chlorobenzamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-4-chlorobenzamide (CID 106157415) is N-(5-bromo-4-methylpentyl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-4-chlorobenzamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-4-chlorobenzamide is CC(CBr)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-4-chlorobenzamide?
The InChIKey is ZRZZXTBUTLOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-10(9-14)3-2-8-16-13(17)11-4-6-12(15)7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-4-methylpentyl)-4-chlorobenzamide?
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide has a molecular weight of 318.64 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-4-chlorobenzamide is sourced from PubChem (CID 106157415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).