(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide

C13H16FNO2 — CID 60666436

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-3-8-15-13(16)7-5-10-4-6-12(17-2)11(14)9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)/b7-5+
InChIKeyFPPKZRPERIOANF-FNORWQNLSA-N
MW237.27 g/mol
LogP2.37
Rot. Bonds5

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide (PubChem CID 60666436) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
PubChem CID60666436
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-3-8-15-13(16)7-5-10-4-6-12(17-2)11(14)9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)/b7-5+
InChIKeyFPPKZRPERIOANF-FNORWQNLSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.37
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-fluoro-4-methoxyphenyl)-N-propylprop-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-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9210510
4-fluoro-N-[2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]ethyl]benzamide
CID 103598424
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-2,2-dimethylpropanamide
CID 103597963
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
(E)-3-(3-amino-4-fluorophenyl)-N-propylprop-2-enamide
CID 39245266
methyl 3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 103957945
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055695
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026
N-(4-chlorophenyl)-4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]butanamide
CID 55991203
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-[2-[[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 155559259
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide (CID 60666436) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1ccc(OC)c(F)c1.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide?
The InChIKey is FPPKZRPERIOANF-FNORWQNLSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-3-8-15-13(16)7-5-10-4-6-12(17-2)11(14)9-10/h4-7,9H,3,8H2,1-2H3,(H,15,16)/b7-5+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide has a molecular weight of 237.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide is sourced from PubChem (CID 60666436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).