7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide

C11H12ClNO4 — CID 83032162

IUPAC7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C11H12ClNO4/c1-6(14)4-13-11(15)7-2-8(12)10-9(3-7)16-5-17-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXTIJVYHMZZIJJP-ZCFIWIBFSA-N
MW257.67 g/mol
LogP1.18
Rot. Bonds3

About 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 83032162) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
PubChem CID83032162
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCO2
InChIInChI=1S/C11H12ClNO4/c1-6(14)4-13-11(15)7-2-8(12)10-9(3-7)16-5-17-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXTIJVYHMZZIJJP-ZCFIWIBFSA-N
XLogP1.18
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
methyl 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-hydroxypropanoate
CID 103879196
7-chloro-N-(3-hydroxy-2-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 115884380
7-chloro-N-[2-(ethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9224824
7-chloro-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51953808
7-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51265230
7-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46422139
5-chloro-N-(3-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 65036686
7-chloro-N-(3-hydroxybutyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 115673508
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
7-chloro-N-(4-hydroxy-2,2-dimethylbutyl)-1,3-benzodioxole-5-carboxamide
CID 103772456
7-chloro-N-(2,3-dihydroxy-2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 66170274

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide (CID 83032162) is 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide is C[C@@H](O)CNC(=O)c1cc(Cl)c2c(c1)OCO2.
What is the InChIKey of 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XTIJVYHMZZIJJP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-6(14)4-13-11(15)7-2-8(12)10-9(3-7)16-5-17-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 257.67 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 83032162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).