(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C16H18F3N3O4 — CID 25350659

IUPAC(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c(OC)c1
InChIInChI=1S/C16H18F3N3O4/c1-22-7-6-20-14(22)15(24,16(17,18)19)9-13(23)21-11-5-4-10(25-2)8-12(11)26-3/h4-8,24H,9H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyLSZUKINRPHNDPM-HNNXBMFYSA-N
MW373.33 g/mol
LogP2.22
Rot. Bonds6

About (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 25350659) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID25350659
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCOc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c(OC)c1
InChIInChI=1S/C16H18F3N3O4/c1-22-7-6-20-14(22)15(24,16(17,18)19)9-13(23)21-11-5-4-10(25-2)8-12(11)26-3/h4-8,24H,9H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyLSZUKINRPHNDPM-HNNXBMFYSA-N
XLogP2.22
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,4-trifluoro-N-(4-fluoro-2-methoxyphenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55588733
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)butanamide
CID 51930496
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111471518
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 17477206
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
N-(2,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110860630
N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111448127
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
2-(3,5-dichlorophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 7467088

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 25350659) is (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is COc1ccc(NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)c(OC)c1.
What is the InChIKey of (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is LSZUKINRPHNDPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c1-22-7-6-20-14(22)15(24,16(17,18)19)9-13(23)21-11-5-4-10(25-2)8-12(11)26-3/h4-8,24H,9H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
(3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 373.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethoxyphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 25350659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).