5-bromo-2-[(2-chloroacetyl)amino]benzamide

C9H8BrClN2O2 — CID 12031979

IUPAC5-bromo-2-[(2-chloroacetyl)amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C9H8BrClN2O2/c10-5-1-2-7(13-8(14)4-11)6(3-5)9(12)15/h1-3H,4H2,(H2,12,15)(H,13,14)
InChIKeyWGEFHBVJZJQRIG-UHFFFAOYSA-N
MW291.53 g/mol
LogP1.73
Rot. Bonds3

About 5-bromo-2-[(2-chloroacetyl)amino]benzamide

5-bromo-2-[(2-chloroacetyl)amino]benzamide (PubChem CID 12031979) has the molecular formula C9H8BrClN2O2 and a molecular weight of 291.53 g/mol. Its IUPAC name is 5-bromo-2-[(2-chloroacetyl)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[(2-chloroacetyl)amino]benzamide
PubChem CID12031979
Molecular FormulaC9H8BrClN2O2
Molecular Weight291.53 g/mol
Exact Mass289.95
IUPAC Name5-bromo-2-[(2-chloroacetyl)amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C9H8BrClN2O2/c10-5-1-2-7(13-8(14)4-11)6(3-5)9(12)15/h1-3H,4H2,(H2,12,15)(H,13,14)
InChIKeyWGEFHBVJZJQRIG-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.53
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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N-[4-bromo-2-(trifluoromethyl)phenyl]-2-chloroacetamide
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2-(3-aminopropylamino)-5-bromobenzamide
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N-(4-bromo-2-carbamothioylphenyl)-3-methylsulfanylpropanamide
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5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
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5-bromo-2-(carbamoylamino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chloroacetyl)amino]benzamide?
The IUPAC name of 5-bromo-2-[(2-chloroacetyl)amino]benzamide (CID 12031979) is 5-bromo-2-[(2-chloroacetyl)amino]benzamide.
What is the SMILES notation for 5-bromo-2-[(2-chloroacetyl)amino]benzamide?
The canonical SMILES for 5-bromo-2-[(2-chloroacetyl)amino]benzamide is NC(=O)c1cc(Br)ccc1NC(=O)CCl.
What is the InChIKey of 5-bromo-2-[(2-chloroacetyl)amino]benzamide?
The InChIKey is WGEFHBVJZJQRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2O2/c10-5-1-2-7(13-8(14)4-11)6(3-5)9(12)15/h1-3H,4H2,(H2,12,15)(H,13,14).
What are the key properties of 5-bromo-2-[(2-chloroacetyl)amino]benzamide?
5-bromo-2-[(2-chloroacetyl)amino]benzamide has a molecular weight of 291.53 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chloroacetyl)amino]benzamide is sourced from PubChem (CID 12031979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).