5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C18H18ClNO4 — CID 30236034

IUPAC5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c1-2-7-22-15-6-4-3-5-14(15)20-18(21)12-10-13(19)17-16(11-12)23-8-9-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
InChIKeyOZHIWMMSRAAXPO-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.15
Rot. Bonds5

About 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 30236034) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID30236034
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Name5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO4/c1-2-7-22-15-6-4-3-5-14(15)20-18(21)12-10-13(19)17-16(11-12)23-8-9-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21)
InChIKeyOZHIWMMSRAAXPO-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.15
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-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55888566
N-(2-propoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 26897998
[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 8995275
3,4,5-triethoxy-N-(2-propoxyphenyl)benzamide
CID 7941942
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
3,5-dichloro-N-(2-ethoxyphenyl)-4-pentoxybenzamide
CID 18848414
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687
4-chloro-3-(diethylsulfamoyl)-N-(2-propoxyphenyl)benzamide
CID 8503404
5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55806733
6-chloro-N-(2-piperidin-1-ylphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55387685

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 30236034) is 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is CCCOc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is OZHIWMMSRAAXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-7-22-15-6-4-3-5-14(15)20-18(21)12-10-13(19)17-16(11-12)23-8-9-24-17/h3-6,10-11H,2,7-9H2,1H3,(H,20,21).
What are the key properties of 5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 4.15, 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-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 30236034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).