2-bromo-N-(2-bromopentyl)-4-chlorobenzamide

C12H14Br2ClNO — CID 107994234

IUPAC2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
SMILESCCCC(Br)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14Br2ClNO/c1-2-3-8(13)7-16-12(17)10-5-4-9(15)6-11(10)14/h4-6,8H,2-3,7H2,1H3,(H,16,17)
InChIKeyNCBHZMBCEJERGL-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.40
Rot. Bonds5

About 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide

2-bromo-N-(2-bromopentyl)-4-chlorobenzamide (PubChem CID 107994234) has the molecular formula C12H14Br2ClNO and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
PubChem CID107994234
Molecular FormulaC12H14Br2ClNO
Molecular Weight383.51 g/mol
Exact Mass380.91
IUPAC Name2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
SMILESCCCC(Br)CNC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14Br2ClNO/c1-2-3-8(13)7-16-12(17)10-5-4-9(15)6-11(10)14/h4-6,8H,2-3,7H2,1H3,(H,16,17)
InChIKeyNCBHZMBCEJERGL-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.40
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

2-bromo-4-chloro-N-(2-ethylbutyl)benzamide
CID 113257506
methyl 3-[(2-bromo-4-chlorobenzoyl)amino]-2-iodopropanoate
CID 107994403
2-bromo-4-chloro-N-(2-methoxypropyl)benzamide
CID 102737720
2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-(1-phenylbutyl)benzamide
CID 107988137
4-[(2-bromo-4-chlorobenzoyl)amino]-3-methoxybutanoic acid
CID 114024394
2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
2-bromo-4-chloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 107994084
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103825446
2-bromo-4-chloro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113257915

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide?
The IUPAC name of 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide (CID 107994234) is 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide.
What is the SMILES notation for 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide?
The canonical SMILES for 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide is CCCC(Br)CNC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide?
The InChIKey is NCBHZMBCEJERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2ClNO/c1-2-3-8(13)7-16-12(17)10-5-4-9(15)6-11(10)14/h4-6,8H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide?
2-bromo-N-(2-bromopentyl)-4-chlorobenzamide has a molecular weight of 383.51 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromopentyl)-4-chlorobenzamide is sourced from PubChem (CID 107994234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).