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

C13H18F3N3O — CID 43270870

IUPACN-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H18F3N3O/c1-3-6-19(2)8-12(20)18-11-5-4-9(7-10(11)17)13(14,15)16/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,20)
InChIKeyWSPKKMQQWNWDMV-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.57
Rot. Bonds5

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

N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide (PubChem CID 43270870) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
PubChem CID43270870
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide
SMILESCCCN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C13H18F3N3O/c1-3-6-19(2)8-12(20)18-11-5-4-9(7-10(11)17)13(14,15)16/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,20)
InChIKeyWSPKKMQQWNWDMV-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.57
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-(dimethylamino)acetamide
CID 16785588
3-[2-amino-4-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79152321
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
3-[2-amino-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 110480197
3-[2-amino-4-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153883
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 60960611
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-methylpropoxy)propanamide
CID 43098659
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
N-(2,5-difluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 2575958

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide (CID 43270870) is N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide is CCCN(C)CC(=O)Nc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
The InChIKey is WSPKKMQQWNWDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-3-6-19(2)8-12(20)18-11-5-4-9(7-10(11)17)13(14,15)16/h4-5,7H,3,6,8,17H2,1-2H3,(H,18,20).
What are the key properties of N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide?
N-[2-amino-4-(trifluoromethyl)phenyl]-2-[methyl(propyl)amino]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.57, 5 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-[methyl(propyl)amino]acetamide is sourced from PubChem (CID 43270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).