N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide

C19H23F3N4O3 — CID 55515904

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CC(O)(c2nccn2C)C(F)(F)F)c1C
InChIInChI=1S/C19H23F3N4O3/c1-12-6-5-7-14(13(12)2)24-15(27)11-26(4)16(28)10-18(29,19(20,21)22)17-23-8-9-25(17)3/h5-9,29H,10-11H2,1-4H3,(H,24,27)
InChIKeyILTFWPNPDBFSTK-UHFFFAOYSA-N
MW412.41 g/mol
LogP2.27
Rot. Bonds6

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 55515904) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
PubChem CID55515904
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
SMILESCc1cccc(NC(=O)CN(C)C(=O)CC(O)(c2nccn2C)C(F)(F)F)c1C
InChIInChI=1S/C19H23F3N4O3/c1-12-6-5-7-14(13(12)2)24-15(27)11-26(4)16(28)10-18(29,19(20,21)22)17-23-8-9-25(17)3/h5-9,29H,10-11H2,1-4H3,(H,24,27)
InChIKeyILTFWPNPDBFSTK-UHFFFAOYSA-N
XLogP2.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
CID 55515656
N-butyl-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide
CID 110885022
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pyridin-2-ylbutanamide
CID 94798928
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 134042876
N-[2-(dimethylamino)-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 51334843
N-(2,3-dimethylphenyl)-2-[methyl-[5-(trifluoromethoxy)-2-pyridinyl]amino]acetamide
CID 133489266
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503634
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8503620

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide (CID 55515904) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide is Cc1cccc(NC(=O)CN(C)C(=O)CC(O)(c2nccn2C)C(F)(F)F)c1C.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is ILTFWPNPDBFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-12-6-5-7-14(13(12)2)24-15(27)11-26(4)16(28)10-18(29,19(20,21)22)17-23-8-9-25(17)3/h5-9,29H,10-11H2,1-4H3,(H,24,27).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 412.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4,4,4-trifluoro-3-hydroxy-N-methyl-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 55515904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).