N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide

C22H18N2O4 — CID 1092904

IUPACN-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-14-11-17(8-9-18(14)24-21(25)15-5-3-2-4-6-15)23-22(26)16-7-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyXULWUJNRHNYSSD-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.23
Rot. Bonds4

About N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide

N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 1092904) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID1092904
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-14-11-17(8-9-18(14)24-21(25)15-5-3-2-4-6-15)23-22(26)16-7-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyXULWUJNRHNYSSD-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone
CID 6325654
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
3,4-dimethoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 2304675
Benzo[1,3]dioxol-5-yl-[4-(4-fluoro-phenyl)-piperazin-1-yl]-methanone
CID 647876

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide (CID 1092904) is N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is XULWUJNRHNYSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-11-17(8-9-18(14)24-21(25)15-5-3-2-4-6-15)23-22(26)16-7-10-19-20(12-16)28-13-27-19/h2-12H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide?
N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-3-methylphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 1092904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).