2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C18H18ClF3N2O4 — CID 2587547

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1OC
InChIInChI=1S/C18H18ClF3N2O4/c1-27-14-4-3-11(7-15(14)28-2)5-6-23-16(25)10-24-9-12(18(20,21)22)8-13(19)17(24)26/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25)
InChIKeyIGMYBLRZPHEQDE-UHFFFAOYSA-N
MW418.80 g/mol
LogP2.90
Rot. Bonds7

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 2587547) has the molecular formula C18H18ClF3N2O4 and a molecular weight of 418.80 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID2587547
Molecular FormulaC18H18ClF3N2O4
Molecular Weight418.80 g/mol
Exact Mass418.09
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1OC
InChIInChI=1S/C18H18ClF3N2O4/c1-27-14-4-3-11(7-15(14)28-2)5-6-23-16(25)10-24-9-12(18(20,21)22)8-13(19)17(24)26/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25)
InChIKeyIGMYBLRZPHEQDE-UHFFFAOYSA-N
XLogP2.90
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.80
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 18118827
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37112241
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 55361512
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24682595
3-(3-chloro-4-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55512219
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 5295724
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 19517423
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 16798495
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3237686
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 2587547) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1OC.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is IGMYBLRZPHEQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O4/c1-27-14-4-3-11(7-15(14)28-2)5-6-23-16(25)10-24-9-12(18(20,21)22)8-13(19)17(24)26/h3-4,7-9H,5-6,10H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 418.80 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 2587547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).