(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide

C17H12N4O2 — CID 108827373

IUPAC(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(C#N)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H12N4O2/c18-9-12-1-3-14(4-2-12)20-11-13(10-19)17(23)21-15-5-7-16(22)8-6-15/h1-8,11,20,22H,(H,21,23)/b13-11-
InChIKeyKELNARDJPMUYDX-QBFSEMIESA-N
MW304.31 g/mol
LogP2.72
Rot. Bonds4

About (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide

(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 108827373) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
PubChem CID108827373
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccc(C#N)cc1)C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C17H12N4O2/c18-9-12-1-3-14(4-2-12)20-11-13(10-19)17(23)21-15-5-7-16(22)8-6-15/h1-8,11,20,22H,(H,21,23)/b13-11-
InChIKeyKELNARDJPMUYDX-QBFSEMIESA-N
XLogP2.72
TPSA108.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817306
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108827247
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(4-methoxyphenyl)prop-2-enamide
CID 108828384
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-ethoxyphenyl)prop-2-enamide
CID 108855612
(Z)-2-cyano-3-(4-hydroxyanilino)-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816826
(Z)-2-cyano-N-(4-hydroxyphenyl)-3-(4-phenoxyanilino)prop-2-enamide
CID 108827325
(Z)-N-(3-acetylphenyl)-2-cyano-3-(4-cyanoanilino)prop-2-enamide
CID 108856731
(Z)-3-(3-acetamidoanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827436
ethyl 4-[[(Z)-2-cyano-3-(4-hydroxyanilino)-3-oxoprop-1-enyl]amino]benzoate
CID 108827256
(Z)-3-(3-acetylanilino)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827344
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide (CID 108827373) is (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide is N#C/C(=C/Nc1ccc(C#N)cc1)C(=O)Nc1ccc(O)cc1.
What is the InChIKey of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KELNARDJPMUYDX-QBFSEMIESA-N. The full InChI is InChI=1S/C17H12N4O2/c18-9-12-1-3-14(4-2-12)20-11-13(10-19)17(23)21-15-5-7-16(22)8-6-15/h1-8,11,20,22H,(H,21,23)/b13-11-.
What are the key properties of (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide?
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 304.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 108827373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).