2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid

C26H17Cl2NO3 — CID 10183146

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
SMILESO=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl2NO3/c27-20-10-11-21(23(28)15-20)25(30)29-24-12-9-19(14-22(24)26(31)32)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15H,(H,29,30)(H,31,32)
InChIKeyUSYQQLCYVKXVOD-UHFFFAOYSA-N
MW462.33 g/mol
LogP7.28
Rot. Bonds5

About 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid

2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid (PubChem CID 10183146) has the molecular formula C26H17Cl2NO3 and a molecular weight of 462.33 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
PubChem CID10183146
Molecular FormulaC26H17Cl2NO3
Molecular Weight462.33 g/mol
Exact Mass461.06
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
SMILESO=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl2NO3/c27-20-10-11-21(23(28)15-20)25(30)29-24-12-9-19(14-22(24)26(31)32)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15H,(H,29,30)(H,31,32)
InChIKeyUSYQQLCYVKXVOD-UHFFFAOYSA-N
XLogP7.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.33
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methyl-5-propan-2-ylphenyl)benzoic acid;methane
CID 158743170
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
2-acetamido-5-phenylbenzoic acid
CID 70700127
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid (CID 10183146) is 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid is O=C(Nc1ccc(-c2cccc(-c3ccccc3)c2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid?
The InChIKey is USYQQLCYVKXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2NO3/c27-20-10-11-21(23(28)15-20)25(30)29-24-12-9-19(14-22(24)26(31)32)18-8-4-7-17(13-18)16-5-2-1-3-6-16/h1-15H,(H,29,30)(H,31,32).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid has a molecular weight of 462.33 g/mol, XLogP of 7.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid is sourced from PubChem (CID 10183146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).