N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide

C21H17NO4 — CID 110426304

IUPACN-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO4/c1-24-18-9-7-15(14-5-3-2-4-6-14)11-17(18)21(23)22-16-8-10-19-20(12-16)26-13-25-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyUUXKWYHEQXFHEO-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.34
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide (PubChem CID 110426304) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
PubChem CID110426304
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H17NO4/c1-24-18-9-7-15(14-5-3-2-4-6-14)11-17(18)21(23)22-16-8-10-19-20(12-16)26-13-25-19/h2-12H,13H2,1H3,(H,22,23)
InChIKeyUUXKWYHEQXFHEO-UHFFFAOYSA-N
XLogP4.34
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 25398478
2-methoxy-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-5-phenylbenzamide
CID 110428779
2-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100925
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151021
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide (CID 110426304) is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide is COc1ccc(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide?
The InChIKey is UUXKWYHEQXFHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-24-18-9-7-15(14-5-3-2-4-6-14)11-17(18)21(23)22-16-8-10-19-20(12-16)26-13-25-19/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide?
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide has a molecular weight of 347.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide is sourced from PubChem (CID 110426304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).