3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide

C12H14ClN3O3 — CID 44571184

IUPAC3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C12H14ClN3O3/c1-7(13)10(17)15-9-5-3-4-8(6-9)11(18)16-12(19)14-2/h3-7H,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCLQJXEKTELRSOR-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.32
Rot. Bonds3

About 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide

3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide (PubChem CID 44571184) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide.

Molecular Properties

Compound Name3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide
PubChem CID44571184
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide
SMILESCNC(=O)NC(=O)c1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C12H14ClN3O3/c1-7(13)10(17)15-9-5-3-4-8(6-9)11(18)16-12(19)14-2/h3-7H,1-2H3,(H,15,17)(H2,14,16,18,19)
InChIKeyCLQJXEKTELRSOR-UHFFFAOYSA-N
XLogP1.32
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.32
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-chloropropanoylamino)-N-(methylcarbamoyl)benzamide?
The IUPAC name of 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide (CID 44571184) is 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide.
What is the SMILES notation for 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide?
The canonical SMILES for 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide is CNC(=O)NC(=O)c1cccc(NC(=O)C(C)Cl)c1.
What is the InChIKey of 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide?
The InChIKey is CLQJXEKTELRSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-7(13)10(17)15-9-5-3-4-8(6-9)11(18)16-12(19)14-2/h3-7H,1-2H3,(H,15,17)(H2,14,16,18,19).
What are the key properties of 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide?
3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide has a molecular weight of 283.72 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropropanoylamino)-N-(methylcarbamoyl)benzamide is sourced from PubChem (CID 44571184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).