N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride

C15H21ClFIN2O — CID 119592223

IUPACN-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1c(F)cccc1I)C1CCCCC1
InChIInChI=1S/C15H20FIN2O.ClH/c16-11-7-4-8-12(17)14(11)15(20)19-13(9-18)10-5-2-1-3-6-10;/h4,7-8,10,13H,1-3,5-6,9,18H2,(H,19,20);1H
InChIKeyXWVPGTMYVAAUPT-UHFFFAOYSA-N
MW426.70 g/mol
LogP3.49
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride (PubChem CID 119592223) has the molecular formula C15H21ClFIN2O and a molecular weight of 426.70 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
PubChem CID119592223
Molecular FormulaC15H21ClFIN2O
Molecular Weight426.70 g/mol
Exact Mass426.04
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
SMILESCl.NCC(NC(=O)c1c(F)cccc1I)C1CCCCC1
InChIInChI=1S/C15H20FIN2O.ClH/c16-11-7-4-8-12(17)14(11)15(20)19-13(9-18)10-5-2-1-3-6-10;/h4,7-8,10,13H,1-3,5-6,9,18H2,(H,19,20);1H
InChIKeyXWVPGTMYVAAUPT-UHFFFAOYSA-N
XLogP3.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;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

N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
2-[(2-amino-1-cyclohexylethyl)amino]-6-fluorobenzamide
CID 115309592
N-(2-amino-1-cyclopentylethyl)-4-bromo-2,6-difluorobenzamide
CID 106737293
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclohexylethyl)-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 119590223
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183
N-(2-amino-1-cyclohexylethyl)-3-methoxybenzamide;hydrochloride
CID 119591989

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride (CID 119592223) is N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride is Cl.NCC(NC(=O)c1c(F)cccc1I)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride?
The InChIKey is XWVPGTMYVAAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIN2O.ClH/c16-11-7-4-8-12(17)14(11)15(20)19-13(9-18)10-5-2-1-3-6-10;/h4,7-8,10,13H,1-3,5-6,9,18H2,(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride has a molecular weight of 426.70 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride is sourced from PubChem (CID 119592223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).