(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide

C17H15NO2 — CID 170877551

IUPAC(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
SMILESCC(=O)c1ccc(-c2cccc(/C=C\C(N)=O)c2)cc1
InChIInChI=1S/C17H15NO2/c1-12(19)14-6-8-15(9-7-14)16-4-2-3-13(11-16)5-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-5-
InChIKeyJLVRVHUAYLOZOR-YHYXMXQVSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

About (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide

(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide (PubChem CID 170877551) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
PubChem CID170877551
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide
SMILESCC(=O)c1ccc(-c2cccc(/C=C\C(N)=O)c2)cc1
InChIInChI=1S/C17H15NO2/c1-12(19)14-6-8-15(9-7-14)16-4-2-3-13(11-16)5-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-5-
InChIKeyJLVRVHUAYLOZOR-YHYXMXQVSA-N
XLogP3.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-[3-[(Z)-3-amino-3-oxoprop-1-enyl]phenyl]benzoate
CID 170877625
(Z)-3-[3-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876888
acetic acid;3-(4-acetylphenyl)prop-2-enamide
CID 175181173
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
3-[3-[3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 3939138
(E)-3-azulen-2-yl-1-azulen-6-ylprop-2-en-1-one
CID 101376278
(E)-3-[2-(3-acetylphenyl)phenyl]prop-2-enamide
CID 170877618
(4-carbamoylphenyl) 3-(3-phenylphenyl)prop-2-enoate
CID 71896123
(Z)-3-(3-ethenylphenyl)prop-2-enamide
CID 55267303
(Z)-3-(3-bromophenyl)prop-2-enamide
CID 11775854
(Z)-3-(3-iodophenyl)prop-2-enamide
CID 131504945
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide (CID 170877551) is (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide is CC(=O)c1ccc(-c2cccc(/C=C\C(N)=O)c2)cc1.
What is the InChIKey of (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide?
The InChIKey is JLVRVHUAYLOZOR-YHYXMXQVSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(19)14-6-8-15(9-7-14)16-4-2-3-13(11-16)5-10-17(18)20/h2-11H,1H3,(H2,18,20)/b10-5-.
What are the key properties of (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide?
(Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide has a molecular weight of 265.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(4-acetylphenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 170877551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).