3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride

C11H14ClF3N2O — CID 119280151

IUPAC3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-7-2-3-8(11(12,13)14)6-9(7)16-10(17)4-5-15;/h2-3,6H,4-5,15H2,1H3,(H,16,17);1H
InChIKeyOVLCGFDNSUEQBK-UHFFFAOYSA-N
MW282.69 g/mol
LogP2.72
Rot. Bonds3

About 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride

3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride (PubChem CID 119280151) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
PubChem CID119280151
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC Name3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-7-2-3-8(11(12,13)14)6-9(7)16-10(17)4-5-15;/h2-3,6H,4-5,15H2,1H3,(H,16,17);1H
InChIKeyOVLCGFDNSUEQBK-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride 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

4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 119290966
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112696057
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-[2-methyl-5-(trifluoromethyl)phenyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107031876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride (CID 119280151) is 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride is Cc1ccc(C(F)(F)F)cc1NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
The InChIKey is OVLCGFDNSUEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c1-7-2-3-8(11(12,13)14)6-9(7)16-10(17)4-5-15;/h2-3,6H,4-5,15H2,1H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride?
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119280151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).