3,5-dibromo-N-(2-chlorobutyl)benzamide

C11H12Br2ClNO — CID 107975285

IUPAC3,5-dibromo-N-(2-chlorobutyl)benzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyDCSJPTGJYJILMI-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.96
Rot. Bonds4

About 3,5-dibromo-N-(2-chlorobutyl)benzamide

3,5-dibromo-N-(2-chlorobutyl)benzamide (PubChem CID 107975285) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 3,5-dibromo-N-(2-chlorobutyl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(2-chlorobutyl)benzamide
PubChem CID107975285
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name3,5-dibromo-N-(2-chlorobutyl)benzamide
SMILESCCC(Cl)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6H2,1H3,(H,15,16)
InChIKeyDCSJPTGJYJILMI-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

3-bromo-N-(2-chlorobutyl)-5-nitrobenzamide
CID 113492849
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
3-bromo-5-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 107941141
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
5-bromo-N-(2-chlorobutyl)-2-hydroxybenzamide
CID 107730482
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]butanoic acid
CID 107938080
3-bromo-5-chloro-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103827221
N-(2-chlorobutyl)-2-methylpyridine-4-carboxamide
CID 106754279

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(2-chlorobutyl)benzamide?
The IUPAC name of 3,5-dibromo-N-(2-chlorobutyl)benzamide (CID 107975285) is 3,5-dibromo-N-(2-chlorobutyl)benzamide.
What is the SMILES notation for 3,5-dibromo-N-(2-chlorobutyl)benzamide?
The canonical SMILES for 3,5-dibromo-N-(2-chlorobutyl)benzamide is CCC(Cl)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(2-chlorobutyl)benzamide?
The InChIKey is DCSJPTGJYJILMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-2-10(14)6-15-11(16)7-3-8(12)5-9(13)4-7/h3-5,10H,2,6H2,1H3,(H,15,16).
What are the key properties of 3,5-dibromo-N-(2-chlorobutyl)benzamide?
3,5-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 3,5-dibromo-N-(2-chlorobutyl)benzamide is sourced from PubChem (CID 107975285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).