fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C26H27F4N3O — CID 143688906

IUPACfluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(C)(C)NC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cn1.Fc1ccccc1
InChIInChI=1S/C20H22F3N3O.C6H5F/c1-13-4-5-15(12-24-13)19(2,3)25-17-10-11-26(18(17)27)16-8-6-14(7-9-16)20(21,22)23;7-6-4-2-1-3-5-6/h4-9,12,17,25H,10-11H2,1-3H3;1-5H
InChIKeyZLNONMGQDCOAFZ-UHFFFAOYSA-N
MW473.51 g/mol
LogP5.86
Rot. Bonds4

About fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 143688906) has the molecular formula C26H27F4N3O and a molecular weight of 473.51 g/mol. Its IUPAC name is fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Namefluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID143688906
Molecular FormulaC26H27F4N3O
Molecular Weight473.51 g/mol
Exact Mass473.21
IUPAC Namefluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCc1ccc(C(C)(C)NC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cn1.Fc1ccccc1
InChIInChI=1S/C20H22F3N3O.C6H5F/c1-13-4-5-15(12-24-13)19(2,3)25-17-10-11-26(18(17)27)16-8-6-14(7-9-16)20(21,22)23;7-6-4-2-1-3-5-6/h4-9,12,17,25H,10-11H2,1-3H3;1-5H
InChIKeyZLNONMGQDCOAFZ-UHFFFAOYSA-N
XLogP5.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.51
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile
CID 70793903
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
N-[(3S)-1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 95101484
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 71839103
2-fluoro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]benzenesulfonamide
CID 71835736
2-methyl-5-(trifluoromethyl)pyridine
CID 18361873
(3S,5R)-3-[2-(6-chloro-3-pyridinyl)propan-2-ylamino]-5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 24991193
1-(4-methylphenyl)-3-[[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 133353995
(2R,3R)-2,3-dihydroxybutanedioic acid;(3R,5R)-5-(3-fluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethyl)-3-pyridinyl]propan-2-ylamino]pyrrolidin-2-one
CID 24991552
5-[3-(trifluoromethoxy)phenyl]-3-[2-[6-(trifluoromethoxy)-3-pyridinyl]propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59153205
N-[(3R)-1-(6-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]propanamide
CID 165043198
3-(2-methylsulfonylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 86970587

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 143688906) is fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is Cc1ccc(C(C)(C)NC2CCN(c3ccc(C(F)(F)F)cc3)C2=O)cn1.Fc1ccccc1.
What is the InChIKey of fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is ZLNONMGQDCOAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O.C6H5F/c1-13-4-5-15(12-24-13)19(2,3)25-17-10-11-26(18(17)27)16-8-6-14(7-9-16)20(21,22)23;7-6-4-2-1-3-5-6/h4-9,12,17,25H,10-11H2,1-3H3;1-5H.
What are the key properties of fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 473.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;3-[2-(6-methyl-3-pyridinyl)propan-2-ylamino]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 143688906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).