N-(1,3-benzodioxol-5-yl)-2-methylbenzamide

C15H13NO3 — CID 652863

IUPACN-(1,3-benzodioxol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3/c1-10-4-2-3-5-12(10)15(17)16-11-6-7-13-14(8-11)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIULCOBQYDHLXTF-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.98
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-methylbenzamide

N-(1,3-benzodioxol-5-yl)-2-methylbenzamide (PubChem CID 652863) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methylbenzamide
PubChem CID652863
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO3/c1-10-4-2-3-5-12(10)15(17)16-11-6-7-13-14(8-11)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIULCOBQYDHLXTF-UHFFFAOYSA-N
XLogP2.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 41632
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P-Tolu-M-anisidide
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N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
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N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbenzamide
CID 769398
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
N-(3-Methoxyphenyl)benzoic acid amide
CID 139369
N-(3-methoxyphenyl)-2-biphenylcarboxamide
CID 976228
2-(1,3-Benzodioxol-5-yl)-3-benzyl-3-hydroxyisoindolin-1-one
CID 2897943

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylbenzamide (CID 652863) is N-(1,3-benzodioxol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methylbenzamide?
The InChIKey is IULCOBQYDHLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-4-2-3-5-12(10)15(17)16-11-6-7-13-14(8-11)19-9-18-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-2-methylbenzamide has a molecular weight of 255.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 652863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).