(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide

C19H20FNO2 — CID 29304402

IUPAC(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H20FNO2/c1-3-23-18-7-5-4-6-16(18)9-11-19(22)21-13-15-8-10-17(20)14(2)12-15/h4-12H,3,13H2,1-2H3,(H,21,22)/b11-9+
InChIKeyLPAUXCKYZFVHPW-PKNBQFBNSA-N
MW313.37 g/mol
LogP3.86
Rot. Bonds6

About (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide

(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide (PubChem CID 29304402) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
PubChem CID29304402
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NCc1ccc(F)c(C)c1
InChIInChI=1S/C19H20FNO2/c1-3-23-18-7-5-4-6-16(18)9-11-19(22)21-13-15-8-10-17(20)14(2)12-15/h4-12H,3,13H2,1-2H3,(H,21,22)/b11-9+
InChIKeyLPAUXCKYZFVHPW-PKNBQFBNSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-ethoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 27052725
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
(E)-3-(2-ethoxyphenyl)-N'-[2-(2-fluorophenoxy)acetyl]prop-2-enehydrazide
CID 9471914
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 9480960
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 4646130
(E)-4-[(4-ethoxy-3-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177207
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide (CID 29304402) is (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NCc1ccc(F)c(C)c1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide?
The InChIKey is LPAUXCKYZFVHPW-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-3-23-18-7-5-4-6-16(18)9-11-19(22)21-13-15-8-10-17(20)14(2)12-15/h4-12H,3,13H2,1-2H3,(H,21,22)/b11-9+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide has a molecular weight of 313.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 29304402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).