3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one

C20H21F3N2O — CID 143944860

IUPAC3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C(CNc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-10-8-15(9-11-16)18(19(26)25-12-4-5-13-25)14-24-17-6-2-1-3-7-17/h1-3,6-11,18,24H,4-5,12-14H2
InChIKeyFWIHSUKYNLDHDE-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.52
Rot. Bonds5

About 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one

3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one (PubChem CID 143944860) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one
PubChem CID143944860
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one
SMILESO=C(C(CNc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)16-10-8-15(9-11-16)18(19(26)25-12-4-5-13-25)14-24-17-6-2-1-3-7-17/h1-3,6-11,18,24H,4-5,12-14H2
InChIKeyFWIHSUKYNLDHDE-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-phenylurea
CID 90534946
2-phenyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337932
1-[[4-(trifluoromethyl)anilino]methyl]cyclopropane-1-carboxylic acid
CID 115450323
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
2-anilino-1-[(2S)-2-(2-chlorophenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 71580355
[(2R)-1-oxo-1-piperidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-2-yl]carbamic acid
CID 146224363
1-(3-anilinopyrrolidin-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 56503062
(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
CID 125455508
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-4-(trifluoromethyl)benzamide
CID 110351388
N-[2-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-2-sulfanylacetamide
CID 59125012
(3R)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-1-pyrrolidin-1-yl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 93299379

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The IUPAC name of 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one (CID 143944860) is 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The canonical SMILES for 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one is O=C(C(CNc1ccccc1)c1ccc(C(F)(F)F)cc1)N1CCCC1.
What is the InChIKey of 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one?
The InChIKey is FWIHSUKYNLDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)16-10-8-15(9-11-16)18(19(26)25-12-4-5-13-25)14-24-17-6-2-1-3-7-17/h1-3,6-11,18,24H,4-5,12-14H2.
What are the key properties of 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one?
3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one has a molecular weight of 362.40 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]propan-1-one is sourced from PubChem (CID 143944860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).