(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide

C21H24F3N3O2 — CID 9043137

IUPAC(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H24F3N3O2/c1-4-27(5-2)21(29)20(14-9-7-6-8-10-14)26(3)13-17(28)25-16-12-11-15(22)18(23)19(16)24/h6-12,20H,4-5,13H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyRRSNBBPWLLPMHR-FQEVSTJZSA-N
MW407.44 g/mol
LogP3.58
Rot. Bonds8

About (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide

(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide (PubChem CID 9043137) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide
PubChem CID9043137
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide
SMILESCCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H24F3N3O2/c1-4-27(5-2)21(29)20(14-9-7-6-8-10-14)26(3)13-17(28)25-16-12-11-15(22)18(23)19(16)24/h6-12,20H,4-5,13H2,1-3H3,(H,25,28)/t20-/m0/s1
InChIKeyRRSNBBPWLLPMHR-FQEVSTJZSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8709944
2-[methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2120375
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029
2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propan-2-ylamino]acetic acid
CID 60839471
2-[ethyl(3-hydroxypropyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 115674927
methyl N-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]carbamate
CID 47129086
2-[[2-(2-acetylanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197970
2-(N-methylsulfonylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113153696
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197791
2-[methyl-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197781
2-[2-aminoethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 62686094

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide (CID 9043137) is (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide is CCN(CC)C(=O)[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide?
The InChIKey is RRSNBBPWLLPMHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-4-27(5-2)21(29)20(14-9-7-6-8-10-14)26(3)13-17(28)25-16-12-11-15(22)18(23)19(16)24/h6-12,20H,4-5,13H2,1-3H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide?
(2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide has a molecular weight of 407.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-2-phenylacetamide is sourced from PubChem (CID 9043137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).