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

C26H17Cl2NO4 — CID 10227538

IUPAC2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
SMILESO=C(Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl2NO4/c27-18-9-12-21(23(28)15-18)25(30)29-24-13-8-17(14-22(24)26(31)32)16-6-10-20(11-7-16)33-19-4-2-1-3-5-19/h1-15H,(H,29,30)(H,31,32)
InChIKeyGSNSYYWZOXLIGD-UHFFFAOYSA-N
MW478.33 g/mol
LogP7.40
Rot. Bonds6

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

2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid (PubChem CID 10227538) has the molecular formula C26H17Cl2NO4 and a molecular weight of 478.33 g/mol. Its IUPAC name is 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
PubChem CID10227538
Molecular FormulaC26H17Cl2NO4
Molecular Weight478.33 g/mol
Exact Mass477.05
IUPAC Name2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
SMILESO=C(Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H17Cl2NO4/c27-18-9-12-21(23(28)15-18)25(30)29-24-13-8-17(14-22(24)26(31)32)16-6-10-20(11-7-16)33-19-4-2-1-3-5-19/h1-15H,(H,29,30)(H,31,32)
InChIKeyGSNSYYWZOXLIGD-UHFFFAOYSA-N
XLogP7.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-pyrimidin-2-yloxybenzoic acid;hydride
CID 173234722
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
lithium;5-(6-chloropyrazin-2-yl)oxy-2-[(2,4-dichlorobenzoyl)amino]benzoic acid;hydride
CID 173235212
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-phenylbenzoic acid
CID 46853577
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
2-[(2,4-dichlorobenzoyl)amino]-5-(2-methoxy-5-propan-2-ylphenyl)benzoic acid
CID 10276187

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid?
The IUPAC name of 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid (CID 10227538) is 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid.
What is the SMILES notation for 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid?
The canonical SMILES for 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid is O=C(Nc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid?
The InChIKey is GSNSYYWZOXLIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Cl2NO4/c27-18-9-12-21(23(28)15-18)25(30)29-24-13-8-17(14-22(24)26(31)32)16-6-10-20(11-7-16)33-19-4-2-1-3-5-19/h1-15H,(H,29,30)(H,31,32).
What are the key properties of 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid?
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid has a molecular weight of 478.33 g/mol, XLogP of 7.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid is sourced from PubChem (CID 10227538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).