N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

C12H16F3N3O — CID 60890401

IUPACN-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18(8-12(13,14)15)7-6-11(19)17-10-4-2-9(16)3-5-10/h2-5H,6-8,16H2,1H3,(H,17,19)
InChIKeyDUBLJEBMDPFTOY-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.09
Rot. Bonds5

About N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide

N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (PubChem CID 60890401) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
PubChem CID60890401
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(N)cc1)CC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c1-18(8-12(13,14)15)7-6-11(19)17-10-4-2-9(16)3-5-10/h2-5H,6-8,16H2,1H3,(H,17,19)
InChIKeyDUBLJEBMDPFTOY-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-aminophenyl)-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
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3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761
N-(2-amino-4-fluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 60890403
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N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
N-(4-aminophenyl)-9,9,9-trifluoro-8-oxononanamide
CID 70069905
N-(4-aminophenyl)-4-[2-ethoxyethyl(methyl)amino]butanamide
CID 81053044
N-(4-aminophenyl)-4-[methyl(3-methylbutan-2-yl)amino]butanamide
CID 43569623
N-(4-aminophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 43374598

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The IUPAC name of N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide (CID 60890401) is N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is CN(CCC(=O)Nc1ccc(N)cc1)CC(F)(F)F.
What is the InChIKey of N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
The InChIKey is DUBLJEBMDPFTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18(8-12(13,14)15)7-6-11(19)17-10-4-2-9(16)3-5-10/h2-5H,6-8,16H2,1H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide?
N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide has a molecular weight of 275.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propanamide is sourced from PubChem (CID 60890401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).