2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid

C15H10Cl2N2O4 — CID 1010177

IUPAC2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-8-5-6-11(12(17)7-8)14(21)19-18-13(20)9-3-1-2-4-10(9)15(22)23/h1-7H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyVVCQVBJSIZTRAE-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.77
Rot. Bonds3

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

2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid (PubChem CID 1010177) has the molecular formula C15H10Cl2N2O4 and a molecular weight of 353.16 g/mol. Its IUPAC name is 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
PubChem CID1010177
Molecular FormulaC15H10Cl2N2O4
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC Name2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
SMILESO=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-8-5-6-11(12(17)7-8)14(21)19-18-13(20)9-3-1-2-4-10(9)15(22)23/h1-7H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyVVCQVBJSIZTRAE-UHFFFAOYSA-N
XLogP2.77
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2,4-dichloro-N'-(2-nitrobenzoyl)benzohydrazide
CID 4507508
2-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]benzoic acid
CID 3349728
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
4-[2-(2,4-dichlorobenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 3140696
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
3-[(2,4-dichlorobenzoyl)amino]-1,1-dimethylurea
CID 134094710
1,4-dichlorobenzene;phthalic acid
CID 146444395
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
4-bromo-N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126004546

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid?
The IUPAC name of 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid (CID 1010177) is 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid is O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid?
The InChIKey is VVCQVBJSIZTRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4/c16-8-5-6-11(12(17)7-8)14(21)19-18-13(20)9-3-1-2-4-10(9)15(22)23/h1-7H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid?
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid has a molecular weight of 353.16 g/mol, XLogP of 2.77, 3 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]carbamoyl]benzoic acid is sourced from PubChem (CID 1010177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).