3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one

C18H18ClF3N2O2 — CID 142496618

IUPAC3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(=NOC)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C18H18ClF3N2O2/c1-5-24-17(15-13(21)6-10(20)7-14(15)22)11(8-12(19)18(24)25)16(9(2)3)23-26-4/h6-9H,5H2,1-4H3
InChIKeyCDQVLYMLUJSEPV-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.61
Rot. Bonds5

About 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one

3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one (PubChem CID 142496618) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
PubChem CID142496618
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(=NOC)C(C)C)cc(Cl)c1=O
InChIInChI=1S/C18H18ClF3N2O2/c1-5-24-17(15-13(21)6-10(20)7-14(15)22)11(8-12(19)18(24)25)16(9(2)3)23-26-4/h6-9H,5H2,1-4H3
InChIKeyCDQVLYMLUJSEPV-UHFFFAOYSA-N
XLogP4.61
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-[3-(dimethylamino)prop-2-enoyl]-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452921
3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452810
3-chloro-1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one;1-ethyl-5-propan-2-yl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 158808152
5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carbaldehyde;5-chloro-2-(2,6-difluorophenyl)-1-ethyl-6-oxopyridine-3-carboxylic acid
CID 157135187
3-chloro-6-(2,6-difluorophenyl)-1-ethyl-5-(1-hydroxy-2-methylpropyl)pyridin-2-one
CID 142452813
5-(4-bromopyrazol-1-yl)-3-chloro-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-bromopyrazol-1-yl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 157320223
3-chloro-5-(4-chloropyrazol-1-yl)-6-(2,6-difluoro-4-hydroxyphenyl)-1-ethylpyridin-2-one;[4-[5-chloro-3-(4-chloropyrazol-1-yl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorophenyl] acetate
CID 157418801
3-chloro-6-(2,6-difluorophenyl)-5-(2,3-dimethylbutan-2-yl)-1-ethylpyridin-2-one
CID 146396991
3-bromo-5-(2-chlorophenyl)-1-ethyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 142452788
3-[5-chloro-1-ethyl-6-oxo-2-(2,4,6-trifluorophenyl)-3-pyridinyl]-5-methyl-1,2-oxazole-4-carbaldehyde
CID 142496601
5-(4-chloropyrazol-1-yl)-1-ethyl-3-iodo-6-(2,4,6-trifluorophenyl)pyridin-2-one;5-(4-chloropyrazol-1-yl)-1-ethyl-3-methyl-6-(2,4,6-trifluorophenyl)pyridin-2-one
CID 157074543
4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one (CID 142496618) is 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one is CCn1c(-c2c(F)cc(F)cc2F)c(C(=NOC)C(C)C)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The InChIKey is CDQVLYMLUJSEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-5-24-17(15-13(21)6-10(20)7-14(15)22)11(8-12(19)18(24)25)16(9(2)3)23-26-4/h6-9H,5H2,1-4H3.
What are the key properties of 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one has a molecular weight of 386.80 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-5-(N-methoxy-C-propan-2-ylcarbonimidoyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 142496618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).