2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide

C20H22F3N3O — CID 146302614

IUPAC2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(C)c1ccc(CC(=O)NC2CN(c3cncc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C20H22F3N3O/c1-13(2)15-5-3-14(4-6-15)7-19(27)25-17-11-26(12-17)18-8-16(9-24-10-18)20(21,22)23/h3-6,8-10,13,17H,7,11-12H2,1-2H3,(H,25,27)
InChIKeyHWTZZDJFLFFNOC-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide

2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide (PubChem CID 146302614) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
PubChem CID146302614
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
SMILESCC(C)c1ccc(CC(=O)NC2CN(c3cncc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C20H22F3N3O/c1-13(2)15-5-3-14(4-6-15)7-19(27)25-17-11-26(12-17)18-8-16(9-24-10-18)20(21,22)23/h3-6,8-10,13,17H,7,11-12H2,1-2H3,(H,25,27)
InChIKeyHWTZZDJFLFFNOC-UHFFFAOYSA-N
XLogP3.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302608
(2R)-2-[4-(2-methylpropyl)phenyl]-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]propanamide
CID 146302646
2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302811
N-[(3R)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 146302602
2-(3-chloro-5-fluorophenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302661
2-(4-cyclopropylphenyl)-N-[1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302548
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 153395147
2-(4-cyclopropylphenyl)-2-(dimethylamino)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 146302777
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-(4-cyclopropylphenyl)-N-[(3R)-3-(methoxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302628
2-(4-cyclopropylphenyl)-N-[(3S)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146303363
2-(4-cyclopropylphenyl)-N-[(3R)-3-(hydroxymethyl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302545

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide (CID 146302614) is 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide is CC(C)c1ccc(CC(=O)NC2CN(c3cncc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide?
The InChIKey is HWTZZDJFLFFNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-13(2)15-5-3-14(4-6-15)7-19(27)25-17-11-26(12-17)18-8-16(9-24-10-18)20(21,22)23/h3-6,8-10,13,17H,7,11-12H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide?
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 146302614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).