1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one

C18H16ClF3N2O2 — CID 1481206

IUPAC1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCCC1
InChIInChI=1S/C18H16ClF3N2O2/c19-13-5-3-12(4-6-13)11-24-15(18(20,21)22)8-7-14(17(24)26)16(25)23-9-1-2-10-23/h3-8H,1-2,9-11H2
InChIKeyFDZBYWCZLLTAGI-UHFFFAOYSA-N
MW384.79 g/mol
LogP3.80
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one

1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 1481206) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID1481206
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCCC1
InChIInChI=1S/C18H16ClF3N2O2/c19-13-5-3-12(4-6-13)11-24-15(18(20,21)22)8-7-14(17(24)26)16(25)23-9-1-2-10-23/h3-8H,1-2,9-11H2
InChIKeyFDZBYWCZLLTAGI-UHFFFAOYSA-N
XLogP3.80
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one
CID 1481204
1-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 3850946
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
1-[(4-chlorophenyl)methyl]-4-(2-oxo-2-piperidin-1-ylethyl)quinoxaline-2,3-dione
CID 46357345
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
3-(azepane-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620629
4-[(4-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
CID 42836208
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 70717837
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 108545273
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
5-[(4-chlorophenyl)methyl]-2-(piperidine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 50797858
2-(3-methylphenyl)-6-(pyrrolidine-1-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-3,5-dione
CID 46005012

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one (CID 1481206) is 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one is O=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is FDZBYWCZLLTAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c19-13-5-3-12(4-6-13)11-24-15(18(20,21)22)8-7-14(17(24)26)16(25)23-9-1-2-10-23/h3-8H,1-2,9-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 384.79 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 1481206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).