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

C11H14F3N3O — CID 54962159

IUPAC2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C11H14F3N3O/c1-17(9-4-2-8(15)3-5-9)6-10(18)16-7-11(12,13)14/h2-5H,6-7,15H2,1H3,(H,16,18)
InChIKeyBCFXGHWLFUPNDK-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.38
Rot. Bonds4

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

2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962159) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962159
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)c1ccc(N)cc1
InChIInChI=1S/C11H14F3N3O/c1-17(9-4-2-8(15)3-5-9)6-10(18)16-7-11(12,13)14/h2-5H,6-7,15H2,1H3,(H,16,18)
InChIKeyBCFXGHWLFUPNDK-UHFFFAOYSA-N
XLogP1.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide (CID 54962159) is 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)c1ccc(N)cc1.
What is the InChIKey of 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BCFXGHWLFUPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17(9-4-2-8(15)3-5-9)6-10(18)16-7-11(12,13)14/h2-5H,6-7,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).