4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide

C13H16Br2ClNO — CID 114151560

IUPAC4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
SMILESCC(CBr)CCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16Br2ClNO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyDGXCHQKIKOCXPU-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.64
Rot. Bonds6

About 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide

4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide (PubChem CID 114151560) has the molecular formula C13H16Br2ClNO and a molecular weight of 397.54 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
PubChem CID114151560
Molecular FormulaC13H16Br2ClNO
Molecular Weight397.54 g/mol
Exact Mass394.93
IUPAC Name4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
SMILESCC(CBr)CCCNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16Br2ClNO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyDGXCHQKIKOCXPU-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.64
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-bromo-N-(5-bromo-4-methylpentyl)-2-methylbenzamide
CID 106157759
N-(5-bromo-4-methylpentyl)-2-chloro-5-methylsulfanylbenzamide
CID 106157274
4-bromo-2-chloro-N-(5-hydroxypentyl)benzamide
CID 107319112
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
4-bromo-N-(5-chloro-4-methylpentyl)-2-hydroxybenzamide
CID 106156782
2,4-dichloro-N-(5-chloro-4-methylpentyl)benzamide
CID 106157104
2-bromo-N-(5-bromo-4-methylpentyl)-5-iodobenzamide
CID 106157956
(2S)-4-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006650
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
N-(5-bromo-4-methylpentyl)-4-chlorobenzamide
CID 106157415
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
4-bromo-N-(4-chloropentyl)-2-methylbenzamide
CID 106129866

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide (CID 114151560) is 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide is CC(CBr)CCCNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide?
The InChIKey is DGXCHQKIKOCXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO/c1-9(8-14)3-2-6-17-13(18)11-5-4-10(15)7-12(11)16/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide?
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide has a molecular weight of 397.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide is sourced from PubChem (CID 114151560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).