2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide

C20H20F3N3O2 — CID 46962565

IUPAC2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13-5-7-16(8-6-13)28-12-18(27)25-14(2)11-26-17(20(21,22)23)10-15-4-3-9-24-19(15)26/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyPCRNYQJDFZQSTD-CQSZACIVSA-N
MW391.39 g/mol
LogP3.95
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide

2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide (PubChem CID 46962565) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
PubChem CID46962565
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1
InChIInChI=1S/C20H20F3N3O2/c1-13-5-7-16(8-6-13)28-12-18(27)25-14(2)11-26-17(20(21,22)23)10-15-4-3-9-24-19(15)26/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m1/s1
InChIKeyPCRNYQJDFZQSTD-CQSZACIVSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide
CID 46954378
N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92594692
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
2-(3-methoxyphenoxy)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132651357
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
N-(1-methoxypropan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 84603980
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-methylphenoxy)acetamide
CID 7817259
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-(1-bromonaphthalen-2-yl)oxy-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132668279

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide (CID 46962565) is 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide is Cc1ccc(OCC(=O)N[C@H](C)Cn2c(C(F)(F)F)cc3cccnc32)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
The InChIKey is PCRNYQJDFZQSTD-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13-5-7-16(8-6-13)28-12-18(27)25-14(2)11-26-17(20(21,22)23)10-15-4-3-9-24-19(15)26/h3-10,14H,11-12H2,1-2H3,(H,25,27)/t14-/m1/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide?
2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(2R)-1-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 46962565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).