3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide

C13H16ClIN2O — CID 103209748

IUPAC3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyLZTAXWOKKHWAFZ-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.81
Rot. Bonds2

About 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide

3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 103209748) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID103209748
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC Name3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide
SMILESCC1NCCCC1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyLZTAXWOKKHWAFZ-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

5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
3-chloro-N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 103855445
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
3-chloro-4-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 103872396
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
3-chloro-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 103806363
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide (CID 103209748) is 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide is CC1NCCCC1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is LZTAXWOKKHWAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-8-12(3-2-6-16-8)17-13(18)9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide?
3-chloro-4-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 3-chloro-4-iodo-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 103209748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).