2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide

C19H18F3N3O — CID 46954378

IUPAC2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
SMILESC[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-13(24-17(26)10-14-6-3-2-4-7-14)12-25-16(19(20,21)22)11-15-8-5-9-23-18(15)25/h2-9,11,13H,10,12H2,1H3,(H,24,26)/t13-/m1/s1
InChIKeyVAOWUJCJUYJEEW-CYBMUJFWSA-N
MW361.37 g/mol
LogP3.80
Rot. Bonds5

About 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide

2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide (PubChem CID 46954378) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
PubChem CID46954378
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
SMILESC[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-13(24-17(26)10-14-6-3-2-4-7-14)12-25-16(19(20,21)22)11-15-8-5-9-23-18(15)25/h2-9,11,13H,10,12H2,1H3,(H,24,26)/t13-/m1/s1
InChIKeyVAOWUJCJUYJEEW-CYBMUJFWSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
CID 46962565
N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92594692
1-benzyl-N-[(2S)-1-methoxypropan-2-yl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620106
1-benzyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7620195
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)propan-2-ol
CID 117223855
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
[(4S)-4-[(1-benzyl-2-oxo-1,8-naphthyridine-3-carbonyl)amino]pentyl]-diethylazanium
CID 7620129
2-[4-(2-phenylimidazo[4,5-b]pyridin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 20916212
N-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 94840300
1-[(2-fluorophenyl)methyl]-2-oxo-N-[(1R)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7620990
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide (CID 46954378) is 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide is C[C@H](Cn1c(C(F)(F)F)cc2cccnc21)NC(=O)Cc1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The InChIKey is VAOWUJCJUYJEEW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-13(24-17(26)10-14-6-3-2-4-7-14)12-25-16(19(20,21)22)11-15-8-5-9-23-18(15)25/h2-9,11,13H,10,12H2,1H3,(H,24,26)/t13-/m1/s1.
What are the key properties of 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 46954378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).