5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide

C10H10BrCl2NO — CID 114299553

IUPAC5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)8-4-7(11)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyZAWWUICJTHQVOE-UHFFFAOYSA-N
MW311.01 g/mol
LogP3.46
Rot. Bonds3

About 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide

5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide (PubChem CID 114299553) has the molecular formula C10H10BrCl2NO and a molecular weight of 311.01 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
PubChem CID114299553
Molecular FormulaC10H10BrCl2NO
Molecular Weight311.01 g/mol
Exact Mass308.93
IUPAC Name5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
SMILESCC(CCl)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)8-4-7(11)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15)
InChIKeyZAWWUICJTHQVOE-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.01
LogP ≤ 53.46
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

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5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide (CID 114299553) is 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide is CC(CCl)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide?
The InChIKey is ZAWWUICJTHQVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2NO/c1-6(5-12)14-10(15)8-4-7(11)2-3-9(8)13/h2-4,6H,5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide?
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide has a molecular weight of 311.01 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide is sourced from PubChem (CID 114299553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).