4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide

C13H18F3N3O — CID 62155065

IUPAC4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-19(2)7-3-6-18-12(20)9-4-5-11(17)10(8-9)13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20)
InChIKeyPIZSEQJJHMZSPH-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.97
Rot. Bonds5

About 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide

4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide (PubChem CID 62155065) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide
PubChem CID62155065
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N3O/c1-19(2)7-3-6-18-12(20)9-4-5-11(17)10(8-9)13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20)
InChIKeyPIZSEQJJHMZSPH-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide (CID 62155065) is 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide is CN(C)CCCNC(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PIZSEQJJHMZSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-19(2)7-3-6-18-12(20)9-4-5-11(17)10(8-9)13(14,15)16/h4-5,8H,3,6-7,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide?
4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide has a molecular weight of 289.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62155065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).