3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid

C21H17NO3 — CID 164611926

IUPAC3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H17NO3/c1-14-7-9-16(10-8-14)20(23)22-19-12-17(11-18(13-19)21(24)25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyVUIYOLOCBBVEGW-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.61
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid

3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid (PubChem CID 164611926) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid
PubChem CID164611926
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H17NO3/c1-14-7-9-16(10-8-14)20(23)22-19-12-17(11-18(13-19)21(24)25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)
InChIKeyVUIYOLOCBBVEGW-UHFFFAOYSA-N
XLogP4.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid (CID 164611926) is 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid?
The InChIKey is VUIYOLOCBBVEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-14-7-9-16(10-8-14)20(23)22-19-12-17(11-18(13-19)21(24)25)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid?
3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-5-phenylbenzoic acid is sourced from PubChem (CID 164611926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).