(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

C24H22FNO2 — CID 28566628

IUPAC(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22FNO2/c1-17(19-10-12-21(25)13-11-19)26-24(27)23(20-6-4-3-5-7-20)16-18-8-14-22(28-2)15-9-18/h3-17H,1-2H3,(H,26,27)/b23-16+/t17-/m0/s1
InChIKeyXINVPKSAQOXQGS-CSUZIONRSA-N
MW375.44 g/mol
LogP5.25
Rot. Bonds6

About (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide

(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (PubChem CID 28566628) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
PubChem CID28566628
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C24H22FNO2/c1-17(19-10-12-21(25)13-11-19)26-24(27)23(20-6-4-3-5-7-20)16-18-8-14-22(28-2)15-9-18/h3-17H,1-2H3,(H,26,27)/b23-16+/t17-/m0/s1
InChIKeyXINVPKSAQOXQGS-CSUZIONRSA-N
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 25304573
(E)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2,3-diphenylprop-2-enamide
CID 99959671
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[(1R)-1-phenylpropyl]prop-2-enamide
CID 94018955
(E)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 30394970
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-[(1R)-1-phenylethyl]oxamide
CID 30405081
(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788230
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
(Z)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 2290505

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide (CID 28566628) is (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
The InChIKey is XINVPKSAQOXQGS-CSUZIONRSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-17(19-10-12-21(25)13-11-19)26-24(27)23(20-6-4-3-5-7-20)16-18-8-14-22(28-2)15-9-18/h3-17H,1-2H3,(H,26,27)/b23-16+/t17-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide?
(E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide has a molecular weight of 375.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide is sourced from PubChem (CID 28566628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).