2-benzamido-3,3-diphenylprop-2-enoic acid

C22H17NO3 — CID 14973494

IUPAC2-benzamido-3,3-diphenylprop-2-enoic acid
SMILESO=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO3/c24-21(18-14-8-3-9-15-18)23-20(22(25)26)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,23,24)(H,25,26)
InChIKeyFDZDVKDGVXFCJS-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.96
Rot. Bonds5

About 2-benzamido-3,3-diphenylprop-2-enoic acid

2-benzamido-3,3-diphenylprop-2-enoic acid (PubChem CID 14973494) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-benzamido-3,3-diphenylprop-2-enoic acid.

Molecular Properties

Compound Name2-benzamido-3,3-diphenylprop-2-enoic acid
PubChem CID14973494
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-benzamido-3,3-diphenylprop-2-enoic acid
SMILESO=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17NO3/c24-21(18-14-8-3-9-15-18)23-20(22(25)26)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,23,24)(H,25,26)
InChIKeyFDZDVKDGVXFCJS-UHFFFAOYSA-N
XLogP3.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3,3-diphenylprop-2-enoic acid?
The IUPAC name of 2-benzamido-3,3-diphenylprop-2-enoic acid (CID 14973494) is 2-benzamido-3,3-diphenylprop-2-enoic acid.
What is the SMILES notation for 2-benzamido-3,3-diphenylprop-2-enoic acid?
The canonical SMILES for 2-benzamido-3,3-diphenylprop-2-enoic acid is O=C(O)C(NC(=O)c1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamido-3,3-diphenylprop-2-enoic acid?
The InChIKey is FDZDVKDGVXFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21(18-14-8-3-9-15-18)23-20(22(25)26)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H,23,24)(H,25,26).
What are the key properties of 2-benzamido-3,3-diphenylprop-2-enoic acid?
2-benzamido-3,3-diphenylprop-2-enoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3,3-diphenylprop-2-enoic acid is sourced from PubChem (CID 14973494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).