N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride

C11H14ClF3N2O — CID 119497329

IUPACN-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-6(15)2-3-16-11(17)10-8(13)4-7(12)5-9(10)14;/h4-6H,2-3,15H2,1H3,(H,16,17);1H
InChIKeyPJXQXZNNTARQAL-UHFFFAOYSA-N
MW282.69 g/mol
LogP1.99
Rot. Bonds4

About N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride

N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride (PubChem CID 119497329) has the molecular formula C11H14ClF3N2O and a molecular weight of 282.69 g/mol. Its IUPAC name is N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
PubChem CID119497329
Molecular FormulaC11H14ClF3N2O
Molecular Weight282.69 g/mol
Exact Mass282.07
IUPAC NameN-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1c(F)cc(F)cc1F.Cl
InChIInChI=1S/C11H13F3N2O.ClH/c1-6(15)2-3-16-11(17)10-8(13)4-7(12)5-9(10)14;/h4-6H,2-3,15H2,1H3,(H,16,17);1H
InChIKeyPJXQXZNNTARQAL-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.69
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-aminobutyl)-2,4,6-trifluorobenzamide;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

2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
3-acetamido-N-(3-aminobutyl)-4-fluorobenzamide;hydrochloride
CID 119496404
N-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride (CID 119497329) is N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride is CC(N)CCNC(=O)c1c(F)cc(F)cc1F.Cl.
What is the InChIKey of N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride?
The InChIKey is PJXQXZNNTARQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.ClH/c1-6(15)2-3-16-11(17)10-8(13)4-7(12)5-9(10)14;/h4-6H,2-3,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride?
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride has a molecular weight of 282.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride is sourced from PubChem (CID 119497329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).