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

C20H13Cl2NO4 — CID 67344063

IUPAC2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H13Cl2NO4/c21-13-8-12(9-14(22)10-13)19(24)23-18-11-16(6-7-17(18)20(25)26)27-15-4-2-1-3-5-15/h1-11H,(H,23,24)(H,25,26)
InChIKeyRFDDEKZVFCZEKE-UHFFFAOYSA-N
MW402.23 g/mol
LogP5.74
Rot. Bonds5

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

2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid (PubChem CID 67344063) has the molecular formula C20H13Cl2NO4 and a molecular weight of 402.23 g/mol. Its IUPAC name is 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
PubChem CID67344063
Molecular FormulaC20H13Cl2NO4
Molecular Weight402.23 g/mol
Exact Mass401.02
IUPAC Name2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
SMILESO=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H13Cl2NO4/c21-13-8-12(9-14(22)10-13)19(24)23-18-11-16(6-7-17(18)20(25)26)27-15-4-2-1-3-5-15/h1-11H,(H,23,24)(H,25,26)
InChIKeyRFDDEKZVFCZEKE-UHFFFAOYSA-N
XLogP5.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.23
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67343612
4-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
2-[(4-acetyloxybenzoyl)amino]-4-phenoxybenzoic acid
CID 67342997
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480
2-benzamido-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 67342854
2-benzamido-4-(3-fluorophenoxy)benzoic acid
CID 67341850
2-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
4-phenoxy-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 67343096
2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]-4-phenoxybenzoic acid
CID 67343527
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
2-[(2,4-dichlorobenzoyl)amino]-5-(4-phenoxyphenyl)benzoic acid
CID 10227538

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid?
The IUPAC name of 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid (CID 67344063) is 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid.
What is the SMILES notation for 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid?
The canonical SMILES for 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid is O=C(Nc1cc(Oc2ccccc2)ccc1C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid?
The InChIKey is RFDDEKZVFCZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2NO4/c21-13-8-12(9-14(22)10-13)19(24)23-18-11-16(6-7-17(18)20(25)26)27-15-4-2-1-3-5-15/h1-11H,(H,23,24)(H,25,26).
What are the key properties of 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid?
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid has a molecular weight of 402.23 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid is sourced from PubChem (CID 67344063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).