(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide

C20H18FN3O2 — CID 55819624

IUPAC(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-2-26-19-7-4-3-6-15(19)8-11-20(25)23-16-9-10-18(17(21)14-16)24-13-5-12-22-24/h3-14H,2H2,1H3,(H,23,25)/b11-8+
InChIKeyLPUQOVCDJOLEGB-DHZHZOJOSA-N
MW351.38 g/mol
LogP4.06
Rot. Bonds6

About (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide (PubChem CID 55819624) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide
PubChem CID55819624
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C20H18FN3O2/c1-2-26-19-7-4-3-6-15(19)8-11-20(25)23-16-9-10-18(17(21)14-16)24-13-5-12-22-24/h3-14H,2H2,1H3,(H,23,25)/b11-8+
InChIKeyLPUQOVCDJOLEGB-DHZHZOJOSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
4-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 45426859
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
N-(3-fluorophenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4278423
3-(3-ethoxy-4-methoxyphenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enamide
CID 55983180
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34039399
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
N-[3-(3-cyanopropoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 75841576

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide (CID 55819624) is (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide is CCOc1ccccc1/C=C/C(=O)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide?
The InChIKey is LPUQOVCDJOLEGB-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-2-26-19-7-4-3-6-15(19)8-11-20(25)23-16-9-10-18(17(21)14-16)24-13-5-12-22-24/h3-14H,2H2,1H3,(H,23,25)/b11-8+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide has a molecular weight of 351.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 55819624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).