2,5-dibromo-N-(2-chlorobutyl)benzamide

C11H12Br2ClNO — CID 114375877

IUPAC2,5-dibromo-N-(2-chlorobutyl)benzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2ClNO/c1-2-8(14)6-15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyCUJCWKVBKQZOOU-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.96
Rot. Bonds4

About 2,5-dibromo-N-(2-chlorobutyl)benzamide

2,5-dibromo-N-(2-chlorobutyl)benzamide (PubChem CID 114375877) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chlorobutyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chlorobutyl)benzamide
PubChem CID114375877
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name2,5-dibromo-N-(2-chlorobutyl)benzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2ClNO/c1-2-8(14)6-15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2,6H2,1H3,(H,15,16)
InChIKeyCUJCWKVBKQZOOU-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.96
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

5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
3-bromo-N-(2-chlorobutyl)-2-fluorobenzamide
CID 107956821
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
2,4-dibromo-N-(2-chloro-4,4-dimethylpentyl)benzamide
CID 107941541
2,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 114370284
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chlorobutyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2-chlorobutyl)benzamide (CID 114375877) is 2,5-dibromo-N-(2-chlorobutyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chlorobutyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2-chlorobutyl)benzamide is CCC(Cl)CNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chlorobutyl)benzamide?
The InChIKey is CUJCWKVBKQZOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-2-8(14)6-15-11(16)9-5-7(12)3-4-10(9)13/h3-5,8H,2,6H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(2-chlorobutyl)benzamide?
2,5-dibromo-N-(2-chlorobutyl)benzamide has a molecular weight of 369.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-chlorobutyl)benzamide is sourced from PubChem (CID 114375877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).