3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride

C13H20Cl2F3N3O — CID 119893579

IUPAC3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-2-7-18-10-4-3-9(13(14,15)16)8-11(10)19-12(20)5-6-17;;/h3-4,8,18H,2,5-7,17H2,1H3,(H,19,20);2*1H
InChIKeyZAMKJUKPQFKKJH-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.66
Rot. Bonds6

About 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride

3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride (PubChem CID 119893579) has the molecular formula C13H20Cl2F3N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
PubChem CID119893579
Molecular FormulaC13H20Cl2F3N3O
Molecular Weight362.22 g/mol
Exact Mass361.09
IUPAC Name3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
SMILESCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl.Cl
InChIInChI=1S/C13H18F3N3O.2ClH/c1-2-7-18-10-4-3-9(13(14,15)16)8-11(10)19-12(20)5-6-17;;/h3-4,8,18H,2,5-7,17H2,1H3,(H,19,20);2*1H
InChIKeyZAMKJUKPQFKKJH-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)acetamide
CID 63035996
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride (CID 119893579) is 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride is CCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride?
The InChIKey is ZAMKJUKPQFKKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.2ClH/c1-2-7-18-10-4-3-9(13(14,15)16)8-11(10)19-12(20)5-6-17;;/h3-4,8,18H,2,5-7,17H2,1H3,(H,19,20);2*1H.
What are the key properties of 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride?
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride has a molecular weight of 362.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119893579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).