(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one

C21H17NO2 — CID 5345610

IUPAC(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCC(=O)c1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H17NO2/c1-15(23)16-8-10-20(11-9-16)22-13-12-21(24)19-7-6-17-4-2-3-5-18(17)14-19/h2-14,22H,1H3/b13-12-
InChIKeyVQWUNYMCIFWPEN-SEYXRHQNSA-N
MW315.37 g/mol
LogP4.85
Rot. Bonds5

About (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one

(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 5345610) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID5345610
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one
SMILESCC(=O)c1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H17NO2/c1-15(23)16-8-10-20(11-9-16)22-13-12-21(24)19-7-6-17-4-2-3-5-18(17)14-19/h2-14,22H,1H3/b13-12-
InChIKeyVQWUNYMCIFWPEN-SEYXRHQNSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diaminomethylidene-[4-[[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]phenyl]sulfonylazanium
CID 6342255
(E)-3-(4-acetylanilino)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5409095
(E)-1-naphthalen-2-ylpent-2-ene-1,4-dione
CID 102019956
(E)-3-hydroxy-1-naphthalen-2-ylprop-2-en-1-one
CID 12782042
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
methyl 4-[(3-oxo-3-phenylprop-1-enyl)amino]benzoate
CID 870651
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
(Z)-3-(3-acetylanilino)-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 5350578
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
3-[2-(methylamino)-4-nitroanilino]-1-naphthalen-2-ylprop-2-en-1-one
CID 3130557

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one (CID 5345610) is (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one is CC(=O)c1ccc(N/C=C\C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is VQWUNYMCIFWPEN-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H17NO2/c1-15(23)16-8-10-20(11-9-16)22-13-12-21(24)19-7-6-17-4-2-3-5-18(17)14-19/h2-14,22H,1H3/b13-12-.
What are the key properties of (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one?
(Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 315.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetylanilino)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 5345610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).