2-[(2,4-dichlorobenzoyl)amino]propanedioic acid

C10H7Cl2NO5 — CID 68576201

IUPAC2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
SMILESO=C(NC(C(=O)O)C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO5/c11-4-1-2-5(6(12)3-4)8(14)13-7(9(15)16)10(17)18/h1-3,7H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyNPJHMERHFXBDPA-UHFFFAOYSA-N
MW292.07 g/mol
LogP1.26
Rot. Bonds4

About 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid

2-[(2,4-dichlorobenzoyl)amino]propanedioic acid (PubChem CID 68576201) has the molecular formula C10H7Cl2NO5 and a molecular weight of 292.07 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
PubChem CID68576201
Molecular FormulaC10H7Cl2NO5
Molecular Weight292.07 g/mol
Exact Mass290.97
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]propanedioic acid
SMILESO=C(NC(C(=O)O)C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H7Cl2NO5/c11-4-1-2-5(6(12)3-4)8(14)13-7(9(15)16)10(17)18/h1-3,7H,(H,13,14)(H,15,16)(H,17,18)
InChIKeyNPJHMERHFXBDPA-UHFFFAOYSA-N
XLogP1.26
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 51.26
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-[(2,4-dichlorobenzoyl)amino]-3-methylsulfanylpropanoic acid
CID 110189851
2-[(2,4-dichlorobenzoyl)amino]-3-methyl-3-sulfanylbutanoic acid
CID 16773416
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
3-[(2,4-dichlorobenzoyl)amino]-2-methylpropanoic acid
CID 62676717
2,4-dichloro-N-(4-chlorobutan-2-yl)benzamide
CID 83178224
(2R)-2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfonylbutanoic acid
CID 25323237
N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
propan-2-yl 2-[(2,4-dichlorobenzoyl)amino]propanoate
CID 110191872
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid (CID 68576201) is 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid is O=C(NC(C(=O)O)C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid?
The InChIKey is NPJHMERHFXBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO5/c11-4-1-2-5(6(12)3-4)8(14)13-7(9(15)16)10(17)18/h1-3,7H,(H,13,14)(H,15,16)(H,17,18).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid?
2-[(2,4-dichlorobenzoyl)amino]propanedioic acid has a molecular weight of 292.07 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]propanedioic acid is sourced from PubChem (CID 68576201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).