(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid

C17H15NO3 — CID 175439123

IUPAC(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2/C=C\C(=O)O)cc1
InChIInChI=1S/C17H15NO3/c1-12(19)18-15-9-6-14(7-10-15)16-5-3-2-4-13(16)8-11-17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-8-
InChIKeyOWCVJHSWPHGOIG-FLIBITNWSA-N
MW281.31 g/mol
LogP3.41
Rot. Bonds4

About (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid

(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid (PubChem CID 175439123) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
PubChem CID175439123
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
SMILESCC(=O)Nc1ccc(-c2ccccc2/C=C\C(=O)O)cc1
InChIInChI=1S/C17H15NO3/c1-12(19)18-15-9-6-14(7-10-15)16-5-3-2-4-13(16)8-11-17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-8-
InChIKeyOWCVJHSWPHGOIG-FLIBITNWSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.41
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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Related Compounds

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
CID 174682832
CID 174682832
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
3-(2-acetamidophenyl)prop-2-enoic acid
CID 53423741
N-(4-phenylphenyl)acetamide
CID 19998
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
(E)-3-[2-(3-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872377
N-phenylacetamide;toluene
CID 175205531
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
CID 22990266

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid (CID 175439123) is (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid is CC(=O)Nc1ccc(-c2ccccc2/C=C\C(=O)O)cc1.
What is the InChIKey of (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid?
The InChIKey is OWCVJHSWPHGOIG-FLIBITNWSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)18-15-9-6-14(7-10-15)16-5-3-2-4-13(16)8-11-17(20)21/h2-11H,1H3,(H,18,19)(H,20,21)/b11-8-.
What are the key properties of (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid?
(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid has a molecular weight of 281.31 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 175439123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).