N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide

C11H14F3N3O — CID 54935805

IUPACN-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(18)16-4-5-17-10-3-2-8(15)6-9(10)11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyDSLSXCUCOLCHKF-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.84
Rot. Bonds4

About N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide

N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide (PubChem CID 54935805) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
PubChem CID54935805
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide
SMILESCC(=O)NCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(18)16-4-5-17-10-3-2-8(15)6-9(10)11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyDSLSXCUCOLCHKF-UHFFFAOYSA-N
XLogP1.84
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamidoethylamino)-5-aminobenzamide
CID 61306770
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
2-[4-amino-2-(trifluoromethyl)anilino]-N,N-dimethylethanesulfonamide
CID 106334470
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380
tert-butyl N-[2-[2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethoxy]ethyl]carbamate
CID 102530973
6-[4-amino-2-(trifluoromethyl)anilino]hexan-1-ol
CID 107843932
1-N-hexyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 14793681
(2R)-1-[4-amino-2-(trifluoromethyl)anilino]propan-2-ol
CID 92979789
1-N-[3-(dimethylamino)propyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935518
2-[2-[4-amino-2-(trifluoromethyl)anilino]ethoxy]ethanol
CID 14793683
3-[4-amino-2-(trifluoromethyl)anilino]-2-hydroxypropanamide
CID 114152829
N-[2-[4-bromo-3-(trifluoromethyl)anilino]ethyl]acetamide
CID 103604165

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide?
The IUPAC name of N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide (CID 54935805) is N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide?
The canonical SMILES for N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide is CC(=O)NCCNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide?
The InChIKey is DSLSXCUCOLCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(18)16-4-5-17-10-3-2-8(15)6-9(10)11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18).
What are the key properties of N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide?
N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-amino-2-(trifluoromethyl)anilino]ethyl]acetamide is sourced from PubChem (CID 54935805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).