N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C13H9ClF3N3O3 — CID 110700152

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H9ClF3N3O3/c14-6-1-2-9(8(3-6)13(15,16)17)19-10(21)4-7-5-11(22)20-12(23)18-7/h1-3,5H,4H2,(H,19,21)(H2,18,20,22,23)
InChIKeyWRJBUZRFCYNSDI-UHFFFAOYSA-N
MW347.68 g/mol
LogP1.92
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 110700152) has the molecular formula C13H9ClF3N3O3 and a molecular weight of 347.68 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID110700152
Molecular FormulaC13H9ClF3N3O3
Molecular Weight347.68 g/mol
Exact Mass347.03
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H9ClF3N3O3/c14-6-1-2-9(8(3-6)13(15,16)17)19-10(21)4-7-5-11(22)20-12(23)18-7/h1-3,5H,4H2,(H,19,21)(H2,18,20,22,23)
InChIKeyWRJBUZRFCYNSDI-UHFFFAOYSA-N
XLogP1.92
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684225
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 135453641
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 3338455
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 4512621
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]benzoic acid
CID 43353075
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3,4-difluorophenyl)propanediamide
CID 108956825

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 110700152) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is WRJBUZRFCYNSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O3/c14-6-1-2-9(8(3-6)13(15,16)17)19-10(21)4-7-5-11(22)20-12(23)18-7/h1-3,5H,4H2,(H,19,21)(H2,18,20,22,23).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 347.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 110700152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).