N-(1,3-benzodioxol-5-yl)-4-methylbenzamide

C15H13NO3 — CID 675179

IUPACN-(1,3-benzodioxol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H13NO3/c1-10-2-4-11(5-3-10)15(17)16-12-6-7-13-14(8-12)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyUOPUHWXWLLBPFB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.98
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4-methylbenzamide

N-(1,3-benzodioxol-5-yl)-4-methylbenzamide (PubChem CID 675179) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-methylbenzamide
PubChem CID675179
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H13NO3/c1-10-2-4-11(5-3-10)15(17)16-12-6-7-13-14(8-12)19-9-18-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyUOPUHWXWLLBPFB-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

N-(4-methoxyphenyl)-4-methylbenzamide
CID 531829
N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
P-Tolu-M-anisidide
CID 3977580
N-(2-aminophenyl)-4-{[(3,4-dimethoxyphenyl)amino]methyl}benzamide
CID 15984110
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-methylbenzamide (CID 675179) is N-(1,3-benzodioxol-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-methylbenzamide?
The InChIKey is UOPUHWXWLLBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-2-4-11(5-3-10)15(17)16-12-6-7-13-14(8-12)19-9-18-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-4-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)-4-methylbenzamide is sourced from PubChem (CID 675179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).