(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide

C17H14FN3O2 — CID 108851968

IUPAC(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H14FN3O2/c1-21(15-6-8-16(22)9-7-15)11-12(10-19)17(23)20-14-4-2-13(18)3-5-14/h2-9,11,22H,1H3,(H,20,23)/b12-11-
InChIKeyMBTWVODXUKTCRM-QXMHVHEDSA-N
MW311.32 g/mol
LogP3.01
Rot. Bonds4

About (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide

(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide (PubChem CID 108851968) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
PubChem CID108851968
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
SMILESCN(/C=C(/C#N)C(=O)Nc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H14FN3O2/c1-21(15-6-8-16(22)9-7-15)11-12(10-19)17(23)20-14-4-2-13(18)3-5-14/h2-9,11,22H,1H3,(H,20,23)/b12-11-
InChIKeyMBTWVODXUKTCRM-QXMHVHEDSA-N
XLogP3.01
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108859644
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide
CID 108857931
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827455
(Z)-2-cyano-3-[(4-fluorophenyl)methylamino]-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827483
(Z)-2-cyano-3-(N-methylanilino)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 108841875
(2Z,4E)-2-cyano-5-[4-(dimethylamino)phenyl]-N-(4-hydroxyphenyl)penta-2,4-dienamide
CID 126379771
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-hydroxyphenyl)prop-2-enamide
CID 108827373
2-cyano-3-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-N-(4-fluorophenyl)prop-2-enamide
CID 3596079
(Z)-2-cyano-N,3-bis(4-hydroxyphenyl)prop-2-enamide
CID 869414
2-cyano-3-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)prop-2-enamide
CID 3329094
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 2874931

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide (CID 108851968) is (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide is CN(/C=C(/C#N)C(=O)Nc1ccc(F)cc1)c1ccc(O)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
The InChIKey is MBTWVODXUKTCRM-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21(15-6-8-16(22)9-7-15)11-12(10-19)17(23)20-14-4-2-13(18)3-5-14/h2-9,11,22H,1H3,(H,20,23)/b12-11-.
What are the key properties of (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide?
(Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide has a molecular weight of 311.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-fluorophenyl)-3-(4-hydroxy-N-methylanilino)prop-2-enamide is sourced from PubChem (CID 108851968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).