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

C20H14ClNO3 — CID 46856249

IUPAC4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14ClNO3/c21-16-10-11-17(20(24)25)18(12-16)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyDNDDUVFOUSQONQ-UHFFFAOYSA-N
MW351.79 g/mol
LogP4.96
Rot. Bonds4

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

4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid (PubChem CID 46856249) has the molecular formula C20H14ClNO3 and a molecular weight of 351.79 g/mol. Its IUPAC name is 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid
PubChem CID46856249
Molecular FormulaC20H14ClNO3
Molecular Weight351.79 g/mol
Exact Mass351.07
IUPAC Name4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H14ClNO3/c21-16-10-11-17(20(24)25)18(12-16)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25)
InChIKeyDNDDUVFOUSQONQ-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 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid (CID 46856249) is 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid?
The InChIKey is DNDDUVFOUSQONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClNO3/c21-16-10-11-17(20(24)25)18(12-16)22-19(23)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid?
4-chloro-2-[(4-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 4-chloro-2-[(4-phenylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 46856249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).