2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

C19H18F3N3O3 — CID 9197970

IUPAC2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O3/c1-11(26)12-5-3-4-6-14(12)23-16(27)9-25(2)10-17(28)24-15-8-7-13(20)18(21)19(15)22/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGXHQBQSMVGKMRH-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.82
Rot. Bonds7

About 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 9197970) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID9197970
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H18F3N3O3/c1-11(26)12-5-3-4-6-14(12)23-16(27)9-25(2)10-17(28)24-15-8-7-13(20)18(21)19(15)22/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyGXHQBQSMVGKMRH-UHFFFAOYSA-N
XLogP2.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094
2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550801
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
N-(2-acetylphenyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287860
2-[[2-(3-ethylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197882
2-[methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197781
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 109001471
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 9197970) is 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)c1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is GXHQBQSMVGKMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11(26)12-5-3-4-6-14(12)23-16(27)9-25(2)10-17(28)24-15-8-7-13(20)18(21)19(15)22/h3-8H,9-10H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 393.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 9197970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).