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

C18H16ClF3N2O3 — CID 1481204

IUPAC1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCOCC1
InChIInChI=1S/C18H16ClF3N2O3/c19-13-3-1-12(2-4-13)11-24-15(18(20,21)22)6-5-14(17(24)26)16(25)23-7-9-27-10-8-23/h1-6H,7-11H2
InChIKeyUOEDZBVXLDYOEV-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.04
Rot. Bonds3

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

1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one (PubChem CID 1481204) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one
PubChem CID1481204
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one
SMILESO=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCOCC1
InChIInChI=1S/C18H16ClF3N2O3/c19-13-3-1-12(2-4-13)11-24-15(18(20,21)22)6-5-14(17(24)26)16(25)23-7-9-27-10-8-23/h1-6H,7-11H2
InChIKeyUOEDZBVXLDYOEV-UHFFFAOYSA-N
XLogP3.04
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-6-(trifluoromethyl)pyridin-2-one
CID 1481206
1-[(4-chlorophenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 3850946
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
N-[(4-chlorophenyl)methyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045422
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959825
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(3R)-2,3-bis(4-chlorophenyl)-1-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-5-oxo-2,3-dihydroindolizine-1-sulfinic acid
CID 145493185
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one (CID 1481204) is 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one is O=C(c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O)N1CCOCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is UOEDZBVXLDYOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c19-13-3-1-12(2-4-13)11-24-15(18(20,21)22)6-5-14(17(24)26)16(25)23-7-9-27-10-8-23/h1-6H,7-11H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one?
1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 400.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(morpholine-4-carbonyl)-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 1481204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).