5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide

C13H17ClN2O2 — CID 55046977

IUPAC5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-15-12-3-2-9(14)8-11(12)13(17)16-10-4-6-18-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyGSCLICMBCUCXAY-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.29
Rot. Bonds3

About 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide

5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide (PubChem CID 55046977) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
PubChem CID55046977
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C13H17ClN2O2/c1-15-12-3-2-9(14)8-11(12)13(17)16-10-4-6-18-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)
InChIKeyGSCLICMBCUCXAY-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
5-chloro-N-(1,1-dioxothian-3-yl)-2-(methylamino)benzamide
CID 63917316
3-(methylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 105068747
5-chloro-2-(methylamino)-N-morpholin-4-ylbenzamide
CID 83023895
5-chloro-N-[4-(cyclopropylamino)-4-oxobutyl]-2-(methylamino)benzamide
CID 79382058
5-chloro-N-(2,2-dimethylcyclopropyl)-2-(methylamino)benzamide
CID 55047042
5-chloro-N-cyclohexyl-2-hydrazinylbenzamide
CID 62237687
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide (CID 55046977) is 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide is CNc1ccc(Cl)cc1C(=O)NC1CCOCC1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide?
The InChIKey is GSCLICMBCUCXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-15-12-3-2-9(14)8-11(12)13(17)16-10-4-6-18-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17).
What are the key properties of 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide?
5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 55046977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).