3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid

C21H17NO3 — CID 108767634

IUPAC3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c23-20(22-14-15-5-4-8-19(13-15)21(24)25)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyHKSBJFBSBYOLPK-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.98
Rot. Bonds5

About 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid

3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid (PubChem CID 108767634) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
PubChem CID108767634
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C21H17NO3/c23-20(22-14-15-5-4-8-19(13-15)21(24)25)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)(H,24,25)
InChIKeyHKSBJFBSBYOLPK-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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Related Compounds

3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-[[(3,4-dihydroxybenzoyl)amino]methyl]benzoic acid
CID 107728027
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-(benzamidomethyl)benzoic acid
CID 10879683
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634
N-[[3-[4-(1,3-dioxol-2-yl)phenyl]phenyl]methyl]benzamide
CID 141050517
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid (CID 108767634) is 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is HKSBJFBSBYOLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20(22-14-15-5-4-8-19(13-15)21(24)25)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)(H,24,25).
What are the key properties of 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid?
3-[[(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 3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 108767634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).