N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C19H15F4N3O2 — CID 72895193

IUPACN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H15F4N3O2/c20-13-9-12(19(21,22)23)6-5-11(13)10-24-17(27)8-7-16-18(28)26-15-4-2-1-3-14(15)25-16/h1-6,9H,7-8,10H2,(H,24,27)(H,26,28)
InChIKeyJJAOECVVZZBTBB-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.33
Rot. Bonds5

About N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 72895193) has the molecular formula C19H15F4N3O2 and a molecular weight of 393.34 g/mol. Its IUPAC name is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID72895193
Molecular FormulaC19H15F4N3O2
Molecular Weight393.34 g/mol
Exact Mass393.11
IUPAC NameN-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C19H15F4N3O2/c20-13-9-12(19(21,22)23)6-5-11(13)10-24-17(27)8-7-16-18(28)26-15-4-2-1-3-14(15)25-16/h1-6,9H,7-8,10H2,(H,24,27)(H,26,28)
InChIKeyJJAOECVVZZBTBB-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110671148
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110745205
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72876216
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72931706

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 72895193) is N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is JJAOECVVZZBTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O2/c20-13-9-12(19(21,22)23)6-5-11(13)10-24-17(27)8-7-16-18(28)26-15-4-2-1-3-14(15)25-16/h1-6,9H,7-8,10H2,(H,24,27)(H,26,28).
What are the key properties of N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 393.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 72895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).