2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide

C13H12ClF3N4O2 — CID 47019732

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCn1ccnc1
InChIInChI=1S/C13H12ClF3N4O2/c14-10-5-9(13(15,16)17)6-21(12(10)23)7-11(22)19-2-4-20-3-1-18-8-20/h1,3,5-6,8H,2,4,7H2,(H,19,22)
InChIKeyWDTHPMVBAJIQBT-UHFFFAOYSA-N
MW348.71 g/mol
LogP1.53
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide (PubChem CID 47019732) has the molecular formula C13H12ClF3N4O2 and a molecular weight of 348.71 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide
PubChem CID47019732
Molecular FormulaC13H12ClF3N4O2
Molecular Weight348.71 g/mol
Exact Mass348.06
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCn1ccnc1
InChIInChI=1S/C13H12ClF3N4O2/c14-10-5-9(13(15,16)17)6-21(12(10)23)7-11(22)19-2-4-20-3-1-18-8-20/h1,3,5-6,8H,2,4,7H2,(H,19,22)
InChIKeyWDTHPMVBAJIQBT-UHFFFAOYSA-N
XLogP1.53
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-hydroxynicotinyl)-imidazole
CID 69980218
1-(1H-imidazol-5-yl)-5-(trifluoromethyl)pyridin-2-one
CID 25094296
3-[3-(1H-imidazol-1-yl)propyl]-1-[2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl]urea
CID 47492766
1-(3-Imidazol-1-ylpropyl)-3-[6-oxo-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]urea
CID 162238125
N-[3-amino-2-[1-(difluoromethyl)imidazol-2-yl]prop-2-enyl]-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
CID 173829112
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
CID 47028002
1-(4-imidazol-1-ylbutyl)-3-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]urea
CID 47491789
N-(1-imidazol-1-ylpropan-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 53505419
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 56412158
2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1(2H)-yl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide
CID 56752168
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 60356216
2-imidazol-1-yl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]propanamide
CID 72049113

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide (CID 47019732) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCn1ccnc1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide?
The InChIKey is WDTHPMVBAJIQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O2/c14-10-5-9(13(15,16)17)6-21(12(10)23)7-11(22)19-2-4-20-3-1-18-8-20/h1,3,5-6,8H,2,4,7H2,(H,19,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-imidazol-1-ylethyl)acetamide has a molecular weight of 348.71 g/mol, XLogP of 1.53, 5 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-imidazol-1-ylethyl)acetamide is sourced from PubChem (CID 47019732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).