4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid

C21H17NO3 — CID 17171912

IUPAC4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(22-14-15-6-8-19(9-7-15)21(24)25)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyYDCHYUBYEHMEPA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.98
Rot. Bonds5

About 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid

4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid (PubChem CID 17171912) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
PubChem CID17171912
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H17NO3/c23-20(22-14-15-6-8-19(9-7-15)21(24)25)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyYDCHYUBYEHMEPA-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid (CID 17171912) is 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid is O=C(O)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is YDCHYUBYEHMEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(22-14-15-6-8-19(9-7-15)21(24)25)18-12-10-17(11-13-18)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-phenylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 17171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).