5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride

C13H19ClN2O2 — CID 120648019

IUPAC5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCOC1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-8-3-4-10(14)7-11(8)13(16)15-12-5-6-17-9(12)2;/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16);1H
InChIKeyHKRHOLLQBZOSAH-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.91
Rot. Bonds2

About 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride

5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride (PubChem CID 120648019) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
PubChem CID120648019
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCOC1C.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-8-3-4-10(14)7-11(8)13(16)15-12-5-6-17-9(12)2;/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16);1H
InChIKeyHKRHOLLQBZOSAH-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
2-amino-5-hydroxy-N-(2-methyloxolan-3-yl)benzamide
CID 107075822
4-amino-6-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82736650
2-amino-4-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82727863
3-amino-5-bromo-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114011379
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
3-methyl-4-[(2-methyloxolan-3-yl)carbamoyl]benzenesulfonyl chloride
CID 82729228
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride (CID 120648019) is 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC1CCOC1C.Cl.
What is the InChIKey of 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride?
The InChIKey is HKRHOLLQBZOSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-8-3-4-10(14)7-11(8)13(16)15-12-5-6-17-9(12)2;/h3-4,7,9,12H,5-6,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride?
5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120648019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).