2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid

C23H19NO2 — CID 154114481

IUPAC2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid
SMILESC=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C23H19NO2/c1-18(23(25)26)12-13-19-14-16-22(17-15-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H2,(H,25,26)
InChIKeyZPOFVYOTCYNTLO-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.81
Rot. Bonds6

About 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid

2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid (PubChem CID 154114481) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid.

Molecular Properties

Compound Name2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid
PubChem CID154114481
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid
SMILESC=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C23H19NO2/c1-18(23(25)26)12-13-19-14-16-22(17-15-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H2,(H,25,26)
InChIKeyZPOFVYOTCYNTLO-UHFFFAOYSA-N
XLogP5.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(N-[4-(2-carboxyethenyl)phenyl]anilino)phenyl]prop-2-enoic acid
CID 123784938
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
2-[(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enoyl]benzaldehyde
CID 173476667
4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
CID 132562716
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
(E)-1-(1,3-dithiolan-2-ylidene)-4-[4-(N-phenylanilino)phenyl]but-3-en-2-one
CID 102321514
(E)-1-naphthalen-2-yl-3-[4-(N-phenylanilino)phenyl]prop-2-en-1-one
CID 6151728

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid?
The IUPAC name of 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid (CID 154114481) is 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid.
What is the SMILES notation for 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid?
The canonical SMILES for 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid is C=C(C=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid?
The InChIKey is ZPOFVYOTCYNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-18(23(25)26)12-13-19-14-16-22(17-15-19)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-17H,1H2,(H,25,26).
What are the key properties of 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid?
2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid has a molecular weight of 341.41 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-[4-(N-phenylanilino)phenyl]but-3-enoic acid is sourced from PubChem (CID 154114481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).