3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide

C11H12Br2ClNO — CID 107941338

IUPAC3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-7(2-3-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyLZUBCASCUISBJT-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.01
Rot. Bonds4

About 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide

3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide (PubChem CID 107941338) has the molecular formula C11H12Br2ClNO and a molecular weight of 369.48 g/mol. Its IUPAC name is 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
PubChem CID107941338
Molecular FormulaC11H12Br2ClNO
Molecular Weight369.48 g/mol
Exact Mass366.90
IUPAC Name3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
SMILESCC(CCBr)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H12Br2ClNO/c1-7(2-3-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,15,16)
InChIKeyLZUBCASCUISBJT-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
3-bromo-5-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 107941583
3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
3-bromo-5-chloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 106355662
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
methyl 2-[(3-bromo-5-chlorobenzoyl)amino]-3-methylbutanoate
CID 103827001
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide (CID 107941338) is 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide is CC(CCBr)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide?
The InChIKey is LZUBCASCUISBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO/c1-7(2-3-12)15-11(16)8-4-9(13)6-10(14)5-8/h4-7H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide?
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide has a molecular weight of 369.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide is sourced from PubChem (CID 107941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).