N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

C16H15NO3 — CID 110778003

IUPACN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C16H15NO3/c1-11-9-14-15(20-8-7-19-14)10-13(11)17-16(18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyZHCYSLPCXKISKF-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds2

About N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide

N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (PubChem CID 110778003) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.

Molecular Properties

Compound NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
PubChem CID110778003
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccccc1)OCCO2
InChIInChI=1S/C16H15NO3/c1-11-9-14-15(20-8-7-19-14)10-13(11)17-16(18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyZHCYSLPCXKISKF-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-[(6-methyl-1,3-benzodioxol-5-yl)carbamothioyl]benzamide
CID 144672368
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetic acid
CID 82496946
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049332
1-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 115168904
N-(6-methyl-2-phenylbenzotriazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3142179
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020
2,2-dimethyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 110777998
methyl 2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoacetate
CID 115142184
N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The IUPAC name of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide (CID 110778003) is N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide.
What is the SMILES notation for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The canonical SMILES for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is Cc1cc2c(cc1NC(=O)c1ccccc1)OCCO2.
What is the InChIKey of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
The InChIKey is ZHCYSLPCXKISKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-9-14-15(20-8-7-19-14)10-13(11)17-16(18)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide?
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide has a molecular weight of 269.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide is sourced from PubChem (CID 110778003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).