2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide

C11H13F3N2O — CID 60638136

IUPAC2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-8-2-4-9(5-3-8)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyNAAXBEAYHVNHEN-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60638136) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60638136
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(NCC(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-8-2-4-9(5-3-8)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17)
InChIKeyNAAXBEAYHVNHEN-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
2-(4-butylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60684996
2-(2,6-dimethylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688864
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(thiophen-3-ylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 66353029
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-[[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 75497567
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
ethane;1-(4-methylanilino)propan-2-one
CID 143614458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 60638136) is 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(NCC(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NAAXBEAYHVNHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-8-2-4-9(5-3-8)15-6-10(17)16-7-11(12,13)14/h2-5,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 246.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60638136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).