4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

C19H20ClNO4 — CID 17018295

IUPAC4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCC(C)C(O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C19H20ClNO4/c1-11(2)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12-3-5-13(20)6-4-12/h3-6,9-11,18,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyTVYIINSEZLQBTR-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.05
Rot. Bonds4

About 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (PubChem CID 17018295) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
PubChem CID17018295
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
SMILESCC(C)C(O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2
InChIInChI=1S/C19H20ClNO4/c1-11(2)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12-3-5-13(20)6-4-12/h3-6,9-11,18,22H,7-8H2,1-2H3,(H,21,23)
InChIKeyTVYIINSEZLQBTR-UHFFFAOYSA-N
XLogP4.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[7-[(S)-(4-chlorophenyl)-hydroxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 41137844
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3,4-difluorobenzamide
CID 39820893
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 61082590
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylsulfinylbenzamide
CID 51278846
N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4-nitrobenzamide
CID 4242967
N-(4-chloro-2-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 103766761
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-[(2S)-1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 24556551
3-bromo-N-[7-(4-chlorobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 3475244
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5304575

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The IUPAC name of 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CID 17018295) is 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The canonical SMILES for 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is CC(C)C(O)c1cc2c(cc1NC(=O)c1ccc(Cl)cc1)OCCO2.
What is the InChIKey of 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
The InChIKey is TVYIINSEZLQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-11(2)18(22)14-9-16-17(25-8-7-24-16)10-15(14)21-19(23)12-3-5-13(20)6-4-12/h3-6,9-11,18,22H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide?
4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide has a molecular weight of 361.83 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide is sourced from PubChem (CID 17018295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).