4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide

C18H11F5N2O2Se — CID 87153120

IUPAC4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1-c1[se]c(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C18H11F5N2O2Se/c1-8-7-9(27-18(21,22)23)5-6-10(8)15-14(25-17(28-15)16(24)26)13-11(19)3-2-4-12(13)20/h2-7H,1H3,(H2,24,26)
InChIKeyUOFNOBJYWAPVOC-UHFFFAOYSA-N
MW461.25 g/mol
LogP4.06
Rot. Bonds4

About 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide

4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide (PubChem CID 87153120) has the molecular formula C18H11F5N2O2Se and a molecular weight of 461.25 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide
PubChem CID87153120
Molecular FormulaC18H11F5N2O2Se
Molecular Weight461.25 g/mol
Exact Mass461.99
IUPAC Name4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide
SMILESCc1cc(OC(F)(F)F)ccc1-c1[se]c(C(N)=O)nc1-c1c(F)cccc1F
InChIInChI=1S/C18H11F5N2O2Se/c1-8-7-9(27-18(21,22)23)5-6-10(8)15-14(25-17(28-15)16(24)26)13-11(19)3-2-4-12(13)20/h2-7H,1H3,(H2,24,26)
InChIKeyUOFNOBJYWAPVOC-UHFFFAOYSA-N
XLogP4.06
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
[3-(trifluoromethoxy)phenyl] acetate
CID 20717735
amino 3-[5-[2-methyl-4-(trifluoromethoxy)phenyl]pyridazin-3-yl]propanoate
CID 155645798
methyl 3-chloro-6-[2-chloro-4-(trifluoromethoxy)phenyl]-5-fluoropyridine-2-carboxylate
CID 142574461
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
5-[2-fluoro-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 169402280
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
CID 141128182
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
CID 56986753
ethyl 3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enoate
CID 169481008

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide (CID 87153120) is 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide is Cc1cc(OC(F)(F)F)ccc1-c1[se]c(C(N)=O)nc1-c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide?
The InChIKey is UOFNOBJYWAPVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N2O2Se/c1-8-7-9(27-18(21,22)23)5-6-10(8)15-14(25-17(28-15)16(24)26)13-11(19)3-2-4-12(13)20/h2-7H,1H3,(H2,24,26).
What are the key properties of 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide?
4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide has a molecular weight of 461.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-5-[2-methyl-4-(trifluoromethoxy)phenyl]-1,3-selenazole-2-carboxamide is sourced from PubChem (CID 87153120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).