2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C14H13ClF3N3O3 — CID 31697715

IUPAC2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)on1
InChIInChI=1S/C14H13ClF3N3O3/c1-8-4-13(24-21-8)20-12(22)6-19-10-5-9(15)2-3-11(10)23-7-14(16,17)18/h2-5,19H,6-7H2,1H3,(H,20,22)
InChIKeyUAUJYWGPNONDJX-UHFFFAOYSA-N
MW363.72 g/mol
LogP3.63
Rot. Bonds6

About 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 31697715) has the molecular formula C14H13ClF3N3O3 and a molecular weight of 363.72 g/mol. Its IUPAC name is 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID31697715
Molecular FormulaC14H13ClF3N3O3
Molecular Weight363.72 g/mol
Exact Mass363.06
IUPAC Name2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)on1
InChIInChI=1S/C14H13ClF3N3O3/c1-8-4-13(24-21-8)20-12(22)6-19-10-5-9(15)2-3-11(10)23-7-14(16,17)18/h2-5,19H,6-7H2,1H3,(H,20,22)
InChIKeyUAUJYWGPNONDJX-UHFFFAOYSA-N
XLogP3.63
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyphenyl)acetamide
CID 33482506
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55521371
2-(2,5-dichlorophenoxy)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 17445480
1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
2-(3-chloro-4-fluoroanilino)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31678260
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 33483989
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
N-(2,6-dimethylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 18288908
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methylphenyl)acetamide
CID 30473976
2-(4-chlorophenoxy)-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 134027239
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2,6-difluorobenzamide
CID 134027237
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 31697715) is 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CNc2cc(Cl)ccc2OCC(F)(F)F)on1.
What is the InChIKey of 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is UAUJYWGPNONDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O3/c1-8-4-13(24-21-8)20-12(22)6-19-10-5-9(15)2-3-11(10)23-7-14(16,17)18/h2-5,19H,6-7H2,1H3,(H,20,22).
What are the key properties of 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 363.72 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 31697715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).