4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide

C13H18F3N3O — CID 115515375

IUPAC4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCCCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-19(2)12(20)9-4-5-10(17)11(8-9)18-7-3-6-13(14,15)16/h4-5,8,18H,3,6-7,17H2,1-2H3
InChIKeyPOJATOXOQBJRMU-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.72
Rot. Bonds5

About 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide

4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide (PubChem CID 115515375) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
PubChem CID115515375
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
SMILESCN(C)C(=O)c1ccc(N)c(NCCCC(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-19(2)12(20)9-4-5-10(17)11(8-9)18-7-3-6-13(14,15)16/h4-5,8,18H,3,6-7,17H2,1-2H3
InChIKeyPOJATOXOQBJRMU-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
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

4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
CID 63358675
4-bromo-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515448
4-amino-N,N-dimethyl-3-(thiophen-2-ylmethylamino)benzamide
CID 63361091
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N,N-dimethyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63361104
N,N-dimethyl-6-(5,5,5-trifluoropentylamino)pyridine-3-carboxamide
CID 115486588

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide (CID 115515375) is 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide is CN(C)C(=O)c1ccc(N)c(NCCCC(F)(F)F)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide?
The InChIKey is POJATOXOQBJRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(2)12(20)9-4-5-10(17)11(8-9)18-7-3-6-13(14,15)16/h4-5,8,18H,3,6-7,17H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide?
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide has a molecular weight of 289.30 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide is sourced from PubChem (CID 115515375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).