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

C20H14ClNO3 — CID 46935552

IUPAC5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H14ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyAWEBQXBJTFVNOH-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.96
Rot. Bonds4

About 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid

5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid (PubChem CID 46935552) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid
PubChem CID46935552
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H14ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyAWEBQXBJTFVNOH-UHFFFAOYSA-N
XLogP4.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid (CID 46935552) is 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid is O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid?
The InChIKey is AWEBQXBJTFVNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-16-9-10-18(17(12-16)20(24)25)22-19(23)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid?
5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid has a molecular weight of 351.79 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 46935552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).