5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide

C13H16ClIN2O — CID 106813444

IUPAC5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyHRAATDDRSBZVNI-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide

5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 106813444) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID106813444
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC Name5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyHRAATDDRSBZVNI-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 103209748
5-chloro-2-ethylsulfanyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120575162
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
5-chloro-N-(2-methylpiperidin-3-yl)-2-(tetrazol-1-yl)benzamide
CID 120576545
2,5-dichloro-N-(2-methylpiperidin-3-yl)thiophene-3-carboxamide
CID 106813442
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
5-bromo-2-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114694893
5-chloro-2-iodo-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387157
6-chloro-N-(2-methylpiperidin-3-yl)quinoline-8-carboxamide
CID 120576271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide (CID 106813444) is 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is HRAATDDRSBZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)10-7-9(14)4-5-11(10)15/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide?
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 378.64 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 106813444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).