(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide

C16H14FNO2 — CID 84554353

IUPAC(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H14FNO2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-11,19H,1H3/b10-5+
InChIKeyJEAPQYFZZUCTII-BJMVGYQFSA-N
MW271.29 g/mol
LogP3.21
Rot. Bonds3

About (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide

(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide (PubChem CID 84554353) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
PubChem CID84554353
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccc(F)c1)c1ccc(O)cc1
InChIInChI=1S/C16H14FNO2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-11,19H,1H3/b10-5+
InChIKeyJEAPQYFZZUCTII-BJMVGYQFSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-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)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
(E)-3-(4-hydroxyphenyl)-N-methyl-N-phenylprop-2-enamide
CID 84552100
(1E,4E)-1-(3-fluorophenyl)-5-(3-hydroxyphenyl)penta-1,4-dien-3-one
CID 56839366
N-benzyl-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 78774303
3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]-methylamino]propanoic acid
CID 60989553
methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
(E)-N-(3-hydroxyphenyl)-N-methyl-3-phenylprop-2-enamide
CID 107735974
(E)-3-(3-aminophenyl)-N-methyl-N-(4-methylphenyl)prop-2-enamide
CID 115343909
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
2,6-difluoro-N-(4-hydroxyphenyl)-N-methylbenzamide
CID 28739175
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
(E)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(3-fluorophenyl)-N-methylprop-2-enamide
CID 96533240

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide (CID 84554353) is (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide is CN(C(=O)/C=C/c1cccc(F)c1)c1ccc(O)cc1.
What is the InChIKey of (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide?
The InChIKey is JEAPQYFZZUCTII-BJMVGYQFSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-18(14-6-8-15(19)9-7-14)16(20)10-5-12-3-2-4-13(17)11-12/h2-11,19H,1H3/b10-5+.
What are the key properties of (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide?
(E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide has a molecular weight of 271.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluorophenyl)-N-(4-hydroxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 84554353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).