(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

C19H18FN3O2 — CID 47085701

IUPAC(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCCn1cc2ccc(NC(=O)/C=C/c3ccc(OC)c(F)c3)cc2n1
InChIInChI=1S/C19H18FN3O2/c1-3-23-12-14-6-7-15(11-17(14)22-23)21-19(24)9-5-13-4-8-18(25-2)16(20)10-13/h4-12H,3H2,1-2H3,(H,21,24)/b9-5+
InChIKeyZCVJVRYHZHJUKE-WEVVVXLNSA-N
MW339.37 g/mol
LogP3.86
Rot. Bonds5

About (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide (PubChem CID 47085701) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
PubChem CID47085701
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
SMILESCCn1cc2ccc(NC(=O)/C=C/c3ccc(OC)c(F)c3)cc2n1
InChIInChI=1S/C19H18FN3O2/c1-3-23-12-14-6-7-15(11-17(14)22-23)21-19(24)9-5-13-4-8-18(25-2)16(20)10-13/h4-12H,3H2,1-2H3,(H,21,24)/b9-5+
InChIKeyZCVJVRYHZHJUKE-WEVVVXLNSA-N
XLogP3.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)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)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18200405
(E)-N-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 9042657
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-3-(3-fluoro-4-methoxyphenyl)-N-propylprop-2-enamide
CID 60666436
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-enamide
CID 86998719
(E)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 49055235
(E)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 136731181
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723472
(E)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 18272030
N-(4-chlorophenyl)-4-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]butanamide
CID 55991203
N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39188207

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide (CID 47085701) is (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide is CCn1cc2ccc(NC(=O)/C=C/c3ccc(OC)c(F)c3)cc2n1.
What is the InChIKey of (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
The InChIKey is ZCVJVRYHZHJUKE-WEVVVXLNSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-23-12-14-6-7-15(11-17(14)22-23)21-19(24)9-5-13-4-8-18(25-2)16(20)10-13/h4-12H,3H2,1-2H3,(H,21,24)/b9-5+.
What are the key properties of (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide?
(E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide has a molecular weight of 339.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylindazol-6-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 47085701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).