2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide

C11H10F6N2O2 — CID 78924197

IUPAC2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)6-18-5-9(20)19-7-2-1-3-8(4-7)21-11(15,16)17/h1-4,18H,5-6H2,(H,19,20)
InChIKeyPJNUFSOXTLUACL-UHFFFAOYSA-N
MW316.20 g/mol
LogP2.68
Rot. Bonds5

About 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide

2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 78924197) has the molecular formula C11H10F6N2O2 and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID78924197
Molecular FormulaC11H10F6N2O2
Molecular Weight316.20 g/mol
Exact Mass316.06
IUPAC Name2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CNCC(F)(F)F)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H10F6N2O2/c12-10(13,14)6-18-5-9(20)19-7-2-1-3-8(4-7)21-11(15,16)17/h1-4,18H,5-6H2,(H,19,20)
InChIKeyPJNUFSOXTLUACL-UHFFFAOYSA-N
XLogP2.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-(3-ethynylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924300
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
2-(4-fluorophenyl)sulfanyl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38033659
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
N-methyl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586079

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 78924197) is 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide is O=C(CNCC(F)(F)F)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is PJNUFSOXTLUACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O2/c12-10(13,14)6-18-5-9(20)19-7-2-1-3-8(4-7)21-11(15,16)17/h1-4,18H,5-6H2,(H,19,20).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide?
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 316.20 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 78924197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).