4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid

C26H18ClNO4 — CID 72711141

IUPAC4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H18ClNO4/c27-19-12-14-22(26(30)31)23(16-19)28-25(29)18-11-13-21(17-7-3-1-4-8-17)24(15-18)32-20-9-5-2-6-10-20/h1-16H,(H,28,29)(H,30,31)
InChIKeyARIQDQFCALXHPM-UHFFFAOYSA-N
MW443.89 g/mol
LogP6.75
Rot. Bonds6

About 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid

4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid (PubChem CID 72711141) has the molecular formula C26H18ClNO4 and a molecular weight of 443.89 g/mol. Its IUPAC name is 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
PubChem CID72711141
Molecular FormulaC26H18ClNO4
Molecular Weight443.89 g/mol
Exact Mass443.09
IUPAC Name4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1
InChIInChI=1S/C26H18ClNO4/c27-19-12-14-22(26(30)31)23(16-19)28-25(29)18-11-13-21(17-7-3-1-4-8-17)24(15-18)32-20-9-5-2-6-10-20/h1-16H,(H,28,29)(H,30,31)
InChIKeyARIQDQFCALXHPM-UHFFFAOYSA-N
XLogP6.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.89
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid (CID 72711141) is 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)c(Oc2ccccc2)c1.
What is the InChIKey of 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is ARIQDQFCALXHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClNO4/c27-19-12-14-22(26(30)31)23(16-19)28-25(29)18-11-13-21(17-7-3-1-4-8-17)24(15-18)32-20-9-5-2-6-10-20/h1-16H,(H,28,29)(H,30,31).
What are the key properties of 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid?
4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid has a molecular weight of 443.89 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-phenoxy-4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 72711141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).