(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

C13H16FNO3 — CID 84590042

IUPAC(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(C)CO)ccc1F
InChIInChI=1S/C13H16FNO3/c1-9(8-16)15-13(17)6-4-10-3-5-11(14)12(7-10)18-2/h3-7,9,16H,8H2,1-2H3,(H,15,17)/b6-4+
InChIKeySQQCIBFZDJNSFR-GQCTYLIASA-N
MW253.27 g/mol
LogP1.34
Rot. Bonds5

About (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (PubChem CID 84590042) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
PubChem CID84590042
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NC(C)CO)ccc1F
InChIInChI=1S/C13H16FNO3/c1-9(8-16)15-13(17)6-4-10-3-5-11(14)12(7-10)18-2/h3-7,9,16H,8H2,1-2H3,(H,15,17)/b6-4+
InChIKeySQQCIBFZDJNSFR-GQCTYLIASA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)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

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857517
(E)-N-(1-hydroxypropan-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 5355806
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 109380204
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(2-hydroxy-3-methylbutyl)prop-2-enamide
CID 75388391
(E)-N-[(2S)-butan-2-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 912474
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
3-(3,4-dimethoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 912467
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78856884
(E)-3-(4-acetamidophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857373
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (CID 84590042) is (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is COc1cc(/C=C/C(=O)NC(C)CO)ccc1F.
What is the InChIKey of (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The InChIKey is SQQCIBFZDJNSFR-GQCTYLIASA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(8-16)15-13(17)6-4-10-3-5-11(14)12(7-10)18-2/h3-7,9,16H,8H2,1-2H3,(H,15,17)/b6-4+.
What are the key properties of (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
(E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide has a molecular weight of 253.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluoro-3-methoxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 84590042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).