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

C11H14F3N3O — CID 16785588

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H14F3N3O/c1-17(2)6-10(18)16-9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeySBVWNDKXRYMOHK-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.79
Rot. Bonds3

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

N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide (PubChem CID 16785588) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
PubChem CID16785588
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C11H14F3N3O/c1-17(2)6-10(18)16-9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3,(H,16,18)
InChIKeySBVWNDKXRYMOHK-UHFFFAOYSA-N
XLogP1.79
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270870
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methylsulfinylpropanamide
CID 61288881
N-[2-amino-4-(trifluoromethyl)phenyl]-2-ethylsulfanylpropanamide
CID 43188508

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide (CID 16785588) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
The InChIKey is SBVWNDKXRYMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-17(2)6-10(18)16-9-4-3-7(5-8(9)15)11(12,13)14/h3-5H,6,15H2,1-2H3,(H,16,18).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide has a molecular weight of 261.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 16785588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).