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

C16H13ClF4N2O2 — CID 18118827

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1cccc(F)c1
InChIInChI=1S/C16H13ClF4N2O2/c17-13-7-11(16(19,20)21)8-23(15(13)25)9-14(24)22-5-4-10-2-1-3-12(18)6-10/h1-3,6-8H,4-5,9H2,(H,22,24)
InChIKeyCYDWWDSEODXBKX-UHFFFAOYSA-N
MW376.74 g/mol
LogP3.02
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 18118827) has the molecular formula C16H13ClF4N2O2 and a molecular weight of 376.74 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID18118827
Molecular FormulaC16H13ClF4N2O2
Molecular Weight376.74 g/mol
Exact Mass376.06
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1cccc(F)c1
InChIInChI=1S/C16H13ClF4N2O2/c17-13-7-11(16(19,20)21)8-23(15(13)25)9-14(24)22-5-4-10-2-1-3-12(18)6-10/h1-3,6-8H,4-5,9H2,(H,22,24)
InChIKeyCYDWWDSEODXBKX-UHFFFAOYSA-N
XLogP3.02
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2587547
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24682595
N-(benzylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5181987
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 118793653
methyl 4-[[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]methyl]benzoate
CID 18273639
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 47015092
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 18118827) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is CYDWWDSEODXBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O2/c17-13-7-11(16(19,20)21)8-23(15(13)25)9-14(24)22-5-4-10-2-1-3-12(18)6-10/h1-3,6-8H,4-5,9H2,(H,22,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 376.74 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 18118827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).