4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C13H17Cl2IN2O — CID 120557633

IUPAC4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(Cl)c(I)c1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-8-7-16-5-4-12(8)17-13(18)9-2-3-10(14)11(15)6-9;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyLVOKPJGCGCWUBV-UHFFFAOYSA-N
MW415.10 g/mol
LogP3.09
Rot. Bonds2

About 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120557633) has the molecular formula C13H17Cl2IN2O and a molecular weight of 415.10 g/mol. Its IUPAC name is 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120557633
Molecular FormulaC13H17Cl2IN2O
Molecular Weight415.10 g/mol
Exact Mass413.98
IUPAC Name4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(Cl)c(I)c1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-8-7-16-5-4-12(8)17-13(18)9-2-3-10(14)11(15)6-9;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H
InChIKeyLVOKPJGCGCWUBV-UHFFFAOYSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;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-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
CID 120555666
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556880
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
3-fluoro-5-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120557633) is 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(Cl)c(I)c1.Cl.
What is the InChIKey of 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is LVOKPJGCGCWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O.ClH/c1-8-7-16-5-4-12(8)17-13(18)9-2-3-10(14)11(15)6-9;/h2-3,6,8,12,16H,4-5,7H2,1H3,(H,17,18);1H.
What are the key properties of 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 415.10 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120557633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).