4-(3,3-diphenylpropanoylamino)benzoic acid

C22H19NO3 — CID 945145

IUPAC4-(3,3-diphenylpropanoylamino)benzoic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-19-13-11-18(12-14-19)22(25)26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)
InChIKeyWAPVWRKIDOIEAY-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.55
Rot. Bonds6

About 4-(3,3-diphenylpropanoylamino)benzoic acid

4-(3,3-diphenylpropanoylamino)benzoic acid (PubChem CID 945145) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(3,3-diphenylpropanoylamino)benzoic acid.

Molecular Properties

Compound Name4-(3,3-diphenylpropanoylamino)benzoic acid
PubChem CID945145
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name4-(3,3-diphenylpropanoylamino)benzoic acid
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C22H19NO3/c24-21(23-19-13-11-18(12-14-19)22(25)26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26)
InChIKeyWAPVWRKIDOIEAY-UHFFFAOYSA-N
XLogP4.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropanoylamino)benzoic acid?
The IUPAC name of 4-(3,3-diphenylpropanoylamino)benzoic acid (CID 945145) is 4-(3,3-diphenylpropanoylamino)benzoic acid.
What is the SMILES notation for 4-(3,3-diphenylpropanoylamino)benzoic acid?
The canonical SMILES for 4-(3,3-diphenylpropanoylamino)benzoic acid is O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(3,3-diphenylpropanoylamino)benzoic acid?
The InChIKey is WAPVWRKIDOIEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(23-19-13-11-18(12-14-19)22(25)26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,23,24)(H,25,26).
What are the key properties of 4-(3,3-diphenylpropanoylamino)benzoic acid?
4-(3,3-diphenylpropanoylamino)benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropanoylamino)benzoic acid is sourced from PubChem (CID 945145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).