(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide

C19H20FNO2 — CID 99996359

IUPAC(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
SMILESCC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO2/c1-14(2)23-18-5-3-4-16(12-18)13-21-19(22)11-8-15-6-9-17(20)10-7-15/h3-12,14H,13H2,1-2H3,(H,21,22)/b11-8+
InChIKeyFPZZBKZGMXYGQV-DHZHZOJOSA-N
MW313.37 g/mol
LogP3.94
Rot. Bonds6

About (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide (PubChem CID 99996359) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
PubChem CID99996359
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
SMILESCC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO2/c1-14(2)23-18-5-3-4-16(12-18)13-21-19(22)11-8-15-6-9-17(20)10-7-15/h3-12,14H,13H2,1-2H3,(H,21,22)/b11-8+
InChIKeyFPZZBKZGMXYGQV-DHZHZOJOSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]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-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 82152908
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
(E)-3-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 30384892
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
CID 39572660
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108908242
N-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 5049384
(E)-N-(2-phenylethyl)-3-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 930103

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide (CID 99996359) is (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide is CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide?
The InChIKey is FPZZBKZGMXYGQV-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-14(2)23-18-5-3-4-16(12-18)13-21-19(22)11-8-15-6-9-17(20)10-7-15/h3-12,14H,13H2,1-2H3,(H,21,22)/b11-8+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 99996359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).