2,4-dibromo-N-(2-chloropentyl)benzamide

C12H14Br2ClNO — CID 107941412

IUPAC2,4-dibromo-N-(2-chloropentyl)benzamide
SMILESCCCC(Cl)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2ClNO/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyOSDCQZRCSUCAFU-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.35
Rot. Bonds5

About 2,4-dibromo-N-(2-chloropentyl)benzamide

2,4-dibromo-N-(2-chloropentyl)benzamide (PubChem CID 107941412) has the molecular formula C12H14Br2ClNO and a molecular weight of 383.51 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-chloropentyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-chloropentyl)benzamide
PubChem CID107941412
Molecular FormulaC12H14Br2ClNO
Molecular Weight383.51 g/mol
Exact Mass380.91
IUPAC Name2,4-dibromo-N-(2-chloropentyl)benzamide
SMILESCCCC(Cl)CNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H14Br2ClNO/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7H2,1H3,(H,16,17)
InChIKeyOSDCQZRCSUCAFU-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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

2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
2-bromo-N-(2-bromopentyl)-4-chlorobenzamide
CID 107994234
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
3-[(2,4-dibromobenzoyl)amino]-2-hydroxypropanoic acid
CID 107938123
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
2,4-dibromo-N-[2-(dimethylamino)-3-ethylpentyl]benzamide
CID 107952235
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2,4-dibromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 103882658
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-chloropentyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-chloropentyl)benzamide (CID 107941412) is 2,4-dibromo-N-(2-chloropentyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-chloropentyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-chloropentyl)benzamide is CCCC(Cl)CNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(2-chloropentyl)benzamide?
The InChIKey is OSDCQZRCSUCAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2ClNO/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7H2,1H3,(H,16,17).
What are the key properties of 2,4-dibromo-N-(2-chloropentyl)benzamide?
2,4-dibromo-N-(2-chloropentyl)benzamide has a molecular weight of 383.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-chloropentyl)benzamide is sourced from PubChem (CID 107941412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).