N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide

C18H16F4N2O2 — CID 55920767

IUPACN-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C18H16F4N2O2/c1-2-9-23(11-13-6-3-4-8-15(13)19)16(25)12-24-10-5-7-14(17(24)26)18(20,21)22/h2-8,10H,1,9,11-12H2
InChIKeyWFTQKTWVJFYSGN-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.22
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide

N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide (PubChem CID 55920767) has the molecular formula C18H16F4N2O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
PubChem CID55920767
Molecular FormulaC18H16F4N2O2
Molecular Weight368.33 g/mol
Exact Mass368.11
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C18H16F4N2O2/c1-2-9-23(11-13-6-3-4-8-15(13)19)16(25)12-24-10-5-7-14(17(24)26)18(20,21)22/h2-8,10H,1,9,11-12H2
InChIKeyWFTQKTWVJFYSGN-UHFFFAOYSA-N
XLogP3.22
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 31955898
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111542957
N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
CID 55920117
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 37397619
N-[(2-fluorophenyl)methyl]-N-prop-2-enyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55921283
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 134001675
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94814483
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylpropyl)acetamide
CID 34362524

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide (CID 55920767) is N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1F)C(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide?
The InChIKey is WFTQKTWVJFYSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O2/c1-2-9-23(11-13-6-3-4-8-15(13)19)16(25)12-24-10-5-7-14(17(24)26)18(20,21)22/h2-8,10H,1,9,11-12H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide?
N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide has a molecular weight of 368.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55920767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).