2-[(2-chlorobenzoyl)amino]propanediamide

C10H10ClN3O3 — CID 31062751

IUPAC2-[(2-chlorobenzoyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1ccccc1Cl)C(N)=O
InChIInChI=1S/C10H10ClN3O3/c11-6-4-2-1-3-5(6)10(17)14-7(8(12)15)9(13)16/h1-4,7H,(H2,12,15)(H2,13,16)(H,14,17)
InChIKeyKNFQFOBLWFQEQB-UHFFFAOYSA-N
MW255.66 g/mol
LogP-0.59
Rot. Bonds4

About 2-[(2-chlorobenzoyl)amino]propanediamide

2-[(2-chlorobenzoyl)amino]propanediamide (PubChem CID 31062751) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-[(2-chlorobenzoyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(2-chlorobenzoyl)amino]propanediamide
PubChem CID31062751
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-[(2-chlorobenzoyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1ccccc1Cl)C(N)=O
InChIInChI=1S/C10H10ClN3O3/c11-6-4-2-1-3-5(6)10(17)14-7(8(12)15)9(13)16/h1-4,7H,(H2,12,15)(H2,13,16)(H,14,17)
InChIKeyKNFQFOBLWFQEQB-UHFFFAOYSA-N
XLogP-0.59
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]propanediamide
CID 25465611
2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
CID 3574843
(2R)-4-amino-2-[(2-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 2302928
[(2-chlorobenzoyl)amino]-(diaminomethylidene)azanium
CID 6343021
N-carbamothioyl-2-chlorobenzamide
CID 3909253
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
2-chloro-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 7311900
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
N-(2-amino-1-cyclopropylethyl)-2-chlorobenzamide
CID 65188374

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorobenzoyl)amino]propanediamide?
The IUPAC name of 2-[(2-chlorobenzoyl)amino]propanediamide (CID 31062751) is 2-[(2-chlorobenzoyl)amino]propanediamide.
What is the SMILES notation for 2-[(2-chlorobenzoyl)amino]propanediamide?
The canonical SMILES for 2-[(2-chlorobenzoyl)amino]propanediamide is NC(=O)C(NC(=O)c1ccccc1Cl)C(N)=O.
What is the InChIKey of 2-[(2-chlorobenzoyl)amino]propanediamide?
The InChIKey is KNFQFOBLWFQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-6-4-2-1-3-5(6)10(17)14-7(8(12)15)9(13)16/h1-4,7H,(H2,12,15)(H2,13,16)(H,14,17).
What are the key properties of 2-[(2-chlorobenzoyl)amino]propanediamide?
2-[(2-chlorobenzoyl)amino]propanediamide has a molecular weight of 255.66 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorobenzoyl)amino]propanediamide is sourced from PubChem (CID 31062751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).