3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide

C10H10Br2ClNO — CID 107941244

IUPAC3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
SMILESCC(CBr)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10Br2ClNO/c1-6(5-11)14-10(15)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyDOMOBQXPLZZTRM-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.62
Rot. Bonds3

About 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide

3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide (PubChem CID 107941244) has the molecular formula C10H10Br2ClNO and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
PubChem CID107941244
Molecular FormulaC10H10Br2ClNO
Molecular Weight355.46 g/mol
Exact Mass352.88
IUPAC Name3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
SMILESCC(CBr)NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10Br2ClNO/c1-6(5-11)14-10(15)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyDOMOBQXPLZZTRM-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.62
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-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3-bromo-5-chloro-N-(1-methoxypropan-2-yl)benzamide
CID 103826410
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
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
3-[(3-bromo-5-chlorobenzoyl)amino]pentanoic acid
CID 107938291
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754
methyl 2-[(3-bromo-5-chlorobenzoyl)amino]-3-methylbutanoate
CID 103827001
N-(1-bromo-3-methylbutan-2-yl)-3,5-dichlorobenzamide
CID 114316290
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide?
The IUPAC name of 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide (CID 107941244) is 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide.
What is the SMILES notation for 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide?
The canonical SMILES for 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide is CC(CBr)NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide?
The InChIKey is DOMOBQXPLZZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2ClNO/c1-6(5-11)14-10(15)7-2-8(12)4-9(13)3-7/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide?
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide has a molecular weight of 355.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide is sourced from PubChem (CID 107941244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).