3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide

C11H12ClN3O3 — CID 44571186

IUPAC3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cccc(NC(=O)CCl)c1
InChIInChI=1S/C11H12ClN3O3/c1-13-11(18)15-10(17)7-3-2-4-8(5-7)14-9(16)6-12/h2-5H,6H2,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyDYMMEOBCRMNTEN-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.93
Rot. Bonds3

About 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide

3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide (PubChem CID 44571186) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide
PubChem CID44571186
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC Name3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cccc(NC(=O)CCl)c1
InChIInChI=1S/C11H12ClN3O3/c1-13-11(18)15-10(17)7-3-2-4-8(5-7)14-9(16)6-12/h2-5H,6H2,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyDYMMEOBCRMNTEN-UHFFFAOYSA-N
XLogP0.93
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide (CID 44571186) is 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide is CNC(=O)NC(=O)c1cccc(NC(=O)CCl)c1.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide?
The InChIKey is DYMMEOBCRMNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-13-11(18)15-10(17)7-3-2-4-8(5-7)14-9(16)6-12/h2-5H,6H2,1H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide?
3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide has a molecular weight of 269.69 g/mol, XLogP of 0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-N-(methylcarbamoyl)benzamide is sourced from PubChem (CID 44571186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).