2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide

C20H22F3N3O2 — CID 9197701

IUPAC2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C20H22F3N3O2/c1-13(14-6-4-3-5-7-14)10-24-17(27)11-26(2)12-18(28)25-16-9-8-15(21)19(22)20(16)23/h3-9,13H,10-12H2,1-2H3,(H,24,27)(H,25,28)/t13-/m0/s1
InChIKeyLGOLDHKBYNCAGH-ZDUSSCGKSA-N
MW393.41 g/mol
LogP2.89
Rot. Bonds8

About 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide

2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 9197701) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID9197701
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC Name2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1
InChIInChI=1S/C20H22F3N3O2/c1-13(14-6-4-3-5-7-14)10-24-17(27)11-26(2)12-18(28)25-16-9-8-15(21)19(22)20(16)23/h3-9,13H,10-12H2,1-2H3,(H,24,27)(H,25,28)/t13-/m0/s1
InChIKeyLGOLDHKBYNCAGH-ZDUSSCGKSA-N
XLogP2.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide 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

2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197703
2-[methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197781
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
(2R)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8709944
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide
CID 18087937
(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide
CID 9043137

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide (CID 9197701) is 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is LGOLDHKBYNCAGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-13(14-6-4-3-5-7-14)10-24-17(27)11-26(2)12-18(28)25-16-9-8-15(21)19(22)20(16)23/h3-9,13H,10-12H2,1-2H3,(H,24,27)(H,25,28)/t13-/m0/s1.
What are the key properties of 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide?
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9197701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).