N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide

C21H16N2O4 — CID 1092908

IUPACN-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-20(14-5-2-1-3-6-14)22-16-7-4-8-17(12-16)23-21(25)15-9-10-18-19(11-15)27-13-26-18/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyOCCIJDXNHRWVPF-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.92
Rot. Bonds4

About N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide

N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 1092908) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID1092908
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC NameN-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1
InChIInChI=1S/C21H16N2O4/c24-20(14-5-2-1-3-6-14)22-16-7-4-8-17(12-16)23-21(25)15-9-10-18-19(11-15)27-13-26-18/h1-12H,13H2,(H,22,24)(H,23,25)
InChIKeyOCCIJDXNHRWVPF-UHFFFAOYSA-N
XLogP3.92
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-{2-chloro-5-nitrophenyl}-1,3-benzodioxole-5-carboxamide
CID 903655
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 11690271
1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
CID 669591
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide (CID 1092908) is N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1)c1ccccc1.
What is the InChIKey of N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is OCCIJDXNHRWVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c24-20(14-5-2-1-3-6-14)22-16-7-4-8-17(12-16)23-21(25)15-9-10-18-19(11-15)27-13-26-18/h1-12H,13H2,(H,22,24)(H,23,25).
What are the key properties of N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide?
N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1092908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).