(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide

C17H17FN2O — CID 115342919

IUPAC(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H17FN2O/c1-20(12-14-2-7-15(18)8-3-14)17(21)11-6-13-4-9-16(19)10-5-13/h2-11H,12,19H2,1H3/b11-6+
InChIKeyNNRUGLLGRIQCAW-IZZDOVSWSA-N
MW284.33 g/mol
LogP3.08
Rot. Bonds4

About (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide

(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide (PubChem CID 115342919) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
PubChem CID115342919
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C17H17FN2O/c1-20(12-14-2-7-15(18)8-3-14)17(21)11-6-13-4-9-16(19)10-5-13/h2-11H,12,19H2,1H3/b11-6+
InChIKeyNNRUGLLGRIQCAW-IZZDOVSWSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
(E)-3-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 115342821
(E)-3-(4-aminophenyl)-N-methyl-N-(2-methylpropyl)prop-2-enamide
CID 115342798
3-(4-ethoxy-3-methoxyphenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 76856794
(E)-N-(3-amino-3-sulfanylidenepropyl)-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 82104131
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78770386
(E)-3-(4-aminophenyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylprop-2-enamide
CID 115343354
(E)-N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 35596876
(E)-3-(4-aminophenyl)-N-(4-ethylphenyl)-N-methylprop-2-enamide
CID 115343896
3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]-methylamino]-2-methylpropanoic acid
CID 55008527
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide (CID 115342919) is (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide is CN(Cc1ccc(F)cc1)C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is NNRUGLLGRIQCAW-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(12-14-2-7-15(18)8-3-14)17(21)11-6-13-4-9-16(19)10-5-13/h2-11H,12,19H2,1H3/b11-6+.
What are the key properties of (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide?
(E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 284.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 115342919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).