(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide

C24H21F2NO2 — CID 55706094

IUPAC(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C24H21F2NO2/c25-22-11-6-12-23(26)21(22)13-14-24(28)27-15-19-9-4-5-10-20(19)17-29-16-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,27,28)/b14-13+
InChIKeyMHJCYXPLKRPSEY-BUHFOSPRSA-N
MW393.43 g/mol
LogP5.01
Rot. Bonds8

About (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide (PubChem CID 55706094) has the molecular formula C24H21F2NO2 and a molecular weight of 393.43 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide
PubChem CID55706094
Molecular FormulaC24H21F2NO2
Molecular Weight393.43 g/mol
Exact Mass393.15
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1F)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C24H21F2NO2/c25-22-11-6-12-23(26)21(22)13-14-24(28)27-15-19-9-4-5-10-20(19)17-29-16-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,27,28)/b14-13+
InChIKeyMHJCYXPLKRPSEY-BUHFOSPRSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.01
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

N-benzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 897129
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
(E)-3-(2,6-difluorophenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 98796519
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
(E)-4-[(2-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 43397099
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-sulfamoylpropanamide
CID 154868821
(E)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
CID 60556449
(E)-3-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7758290
(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 9087844
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide (CID 55706094) is (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1c(F)cccc1F)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is MHJCYXPLKRPSEY-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H21F2NO2/c25-22-11-6-12-23(26)21(22)13-14-24(28)27-15-19-9-4-5-10-20(19)17-29-16-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,27,28)/b14-13+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 393.43 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 55706094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).