2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

C24H22F3N3O — CID 46178982

IUPAC2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C24H22F3N3O/c25-24(26,27)18-13-11-17(12-14-18)22(29-19-7-2-1-3-8-19)23(31)30-16-6-10-21(30)20-9-4-5-15-28-20/h1-5,7-9,11-15,21-22,29H,6,10,16H2
InChIKeyBAXADMOYUBYLMH-UHFFFAOYSA-N
MW425.45 g/mol
LogP5.62
Rot. Bonds5

About 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone

2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 46178982) has the molecular formula C24H22F3N3O and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID46178982
Molecular FormulaC24H22F3N3O
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1c1ccccn1
InChIInChI=1S/C24H22F3N3O/c25-24(26,27)18-13-11-17(12-14-18)22(29-19-7-2-1-3-8-19)23(31)30-16-6-10-21(30)20-9-4-5-15-28-20/h1-5,7-9,11-15,21-22,29H,6,10,16H2
InChIKeyBAXADMOYUBYLMH-UHFFFAOYSA-N
XLogP5.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 71580355
2-(3-fluoroanilino)-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 46179247
2-(benzylamino)-1-[2-(2-fluorophenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 46179448
1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 99950649
2-anilino-1-(2-benzylpiperidin-1-yl)-2-(4-tert-butylphenyl)ethanone
CID 46179630
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 154244901
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
2-pyridin-2-yl-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818185
2-pyridin-2-yl-1-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818184
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
4-[4-[1-(2-fluoroanilino)-2-[2-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]benzoic acid
CID 59200594

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone (CID 46178982) is 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(C(Nc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1c1ccccn1.
What is the InChIKey of 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is BAXADMOYUBYLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O/c25-24(26,27)18-13-11-17(12-14-18)22(29-19-7-2-1-3-8-19)23(31)30-16-6-10-21(30)20-9-4-5-15-28-20/h1-5,7-9,11-15,21-22,29H,6,10,16H2.
What are the key properties of 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone?
2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 425.45 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(2-pyridin-2-ylpyrrolidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 46178982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).