5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C19H20ClNO4 — CID 55888566

IUPAC5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H20ClNO4/c1-12(2)11-25-16-6-4-3-5-15(16)21-19(22)13-9-14(20)18-17(10-13)23-7-8-24-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyGOPIBXDLGVPWIV-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.40
Rot. Bonds5

About 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55888566) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55888566
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C19H20ClNO4/c1-12(2)11-25-16-6-4-3-5-15(16)21-19(22)13-9-14(20)18-17(10-13)23-7-8-24-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22)
InChIKeyGOPIBXDLGVPWIV-UHFFFAOYSA-N
XLogP4.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17436108
5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30236034
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8995275
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
5-chloro-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27648173
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
5-chloro-N-[(2S)-5-methylhexan-2-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 32652358
7-chloro-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 34730057
5-chloro-N'-[2-(2-ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 55363178
5-chloro-N-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 134009427
N-(2-benzylphenyl)-6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 9192448
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55888566) is 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CC(C)COc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is GOPIBXDLGVPWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-12(2)11-25-16-6-4-3-5-15(16)21-19(22)13-9-14(20)18-17(10-13)23-7-8-24-18/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55888566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).