2-[(2,3-dichlorobenzoyl)amino]propanediamide

C10H9Cl2N3O3 — CID 25465611

IUPAC2-[(2,3-dichlorobenzoyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C10H9Cl2N3O3/c11-5-3-1-2-4(6(5)12)10(18)15-7(8(13)16)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyNYBSFRANYNWGMB-UHFFFAOYSA-N
MW290.11 g/mol
LogP0.06
Rot. Bonds4

About 2-[(2,3-dichlorobenzoyl)amino]propanediamide

2-[(2,3-dichlorobenzoyl)amino]propanediamide (PubChem CID 25465611) has the molecular formula C10H9Cl2N3O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2-[(2,3-dichlorobenzoyl)amino]propanediamide.

Molecular Properties

Compound Name2-[(2,3-dichlorobenzoyl)amino]propanediamide
PubChem CID25465611
Molecular FormulaC10H9Cl2N3O3
Molecular Weight290.11 g/mol
Exact Mass289.00
IUPAC Name2-[(2,3-dichlorobenzoyl)amino]propanediamide
SMILESNC(=O)C(NC(=O)c1cccc(Cl)c1Cl)C(N)=O
InChIInChI=1S/C10H9Cl2N3O3/c11-5-3-1-2-4(6(5)12)10(18)15-7(8(13)16)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyNYBSFRANYNWGMB-UHFFFAOYSA-N
XLogP0.06
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 50.06
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-chlorobenzoyl)amino]propanediamide
CID 31062751
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
2,3-dichloro-N-sulfanyloxybenzamide
CID 173416374
2,3-dichlorobenzamide;hydron
CID 69226563
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
(2S)-2-[(2,3-dichlorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145041
2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
5-[(2,3-dichlorobenzoyl)amino]hexanoic acid
CID 82854179
3-cyclopropyl-3-[(2,3-dichlorobenzoyl)amino]propanoic acid
CID 81362646
2,3-dichloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861388
2,3-dichloro-N-(1-chloro-4,4-dimethylpentan-3-yl)benzamide
CID 114177852
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]propanediamide?
The IUPAC name of 2-[(2,3-dichlorobenzoyl)amino]propanediamide (CID 25465611) is 2-[(2,3-dichlorobenzoyl)amino]propanediamide.
What is the SMILES notation for 2-[(2,3-dichlorobenzoyl)amino]propanediamide?
The canonical SMILES for 2-[(2,3-dichlorobenzoyl)amino]propanediamide is NC(=O)C(NC(=O)c1cccc(Cl)c1Cl)C(N)=O.
What is the InChIKey of 2-[(2,3-dichlorobenzoyl)amino]propanediamide?
The InChIKey is NYBSFRANYNWGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O3/c11-5-3-1-2-4(6(5)12)10(18)15-7(8(13)16)9(14)17/h1-3,7H,(H2,13,16)(H2,14,17)(H,15,18).
What are the key properties of 2-[(2,3-dichlorobenzoyl)amino]propanediamide?
2-[(2,3-dichlorobenzoyl)amino]propanediamide has a molecular weight of 290.11 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorobenzoyl)amino]propanediamide is sourced from PubChem (CID 25465611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).