N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide

C12H16F3N3O — CID 141144605

IUPACN-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-17(2)7-11(19)18(3)10-5-4-8(16)6-9(10)12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKeyRHJUXJVXTNCYOV-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.81
Rot. Bonds3

About N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide

N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide (PubChem CID 141144605) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
PubChem CID141144605
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
SMILESCN(C)CC(=O)N(C)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-17(2)7-11(19)18(3)10-5-4-8(16)6-9(10)12(13,14)15/h4-6H,7,16H2,1-3H3
InChIKeyRHJUXJVXTNCYOV-UHFFFAOYSA-N
XLogP1.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-N-methyl-2-(trifluoromethyl)anilino]acetic acid
CID 62255633
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481
1-N-cycloheptyl-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402832
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
4-[[4-amino-N-methyl-2-(trifluoromethyl)anilino]methyl]oxan-4-ol
CID 114947800
1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63696479
1-N-(furan-3-ylmethyl)-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61422232
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 61438246
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
CID 131637048
N-(4-amino-3-fluorophenyl)-2-(dimethylamino)-N-methylacetamide
CID 154490618
2-[4-amino-2-(trifluoromethyl)phenoxy]-N,N-diethylpropanamide
CID 61389463

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide?
The IUPAC name of N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide (CID 141144605) is N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide.
What is the SMILES notation for N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide?
The canonical SMILES for N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide is CN(C)CC(=O)N(C)c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide?
The InChIKey is RHJUXJVXTNCYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-17(2)7-11(19)18(3)10-5-4-8(16)6-9(10)12(13,14)15/h4-6H,7,16H2,1-3H3.
What are the key properties of N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide?
N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide has a molecular weight of 275.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide is sourced from PubChem (CID 141144605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).