N-(6-cyano-1,3-benzodioxol-5-yl)benzamide

C15H10N2O3 — CID 175888730

IUPACN-(6-cyano-1,3-benzodioxol-5-yl)benzamide
SMILESN#Cc1cc2c(cc1NC(=O)c1ccccc1)OCO2
InChIInChI=1S/C15H10N2O3/c16-8-11-6-13-14(20-9-19-13)7-12(11)17-15(18)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18)
InChIKeyCUNJHNOFBNCNIV-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.54
Rot. Bonds2

About N-(6-cyano-1,3-benzodioxol-5-yl)benzamide

N-(6-cyano-1,3-benzodioxol-5-yl)benzamide (PubChem CID 175888730) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-(6-cyano-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound NameN-(6-cyano-1,3-benzodioxol-5-yl)benzamide
PubChem CID175888730
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC NameN-(6-cyano-1,3-benzodioxol-5-yl)benzamide
SMILESN#Cc1cc2c(cc1NC(=O)c1ccccc1)OCO2
InChIInChI=1S/C15H10N2O3/c16-8-11-6-13-14(20-9-19-13)7-12(11)17-15(18)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18)
InChIKeyCUNJHNOFBNCNIV-UHFFFAOYSA-N
XLogP2.54
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 2834223
N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 1266090
N-[(6-methyl-1,3-benzodioxol-5-yl)carbamothioyl]benzamide
CID 144672368
N-(4-formyl-1,3-benzodioxol-5-yl)benzamide
CID 175888729
N-(6-chloro-1,3-benzodioxol-5-yl)-4-iodobenzamide
CID 39728188
2-[2,4-bis(benzoylcarbamoylamino)-5-cyanophenyl]acetic acid
CID 118972569
6-bromo-N-(3-cyano-2-fluorophenyl)-1,3-benzodioxole-5-carboxamide
CID 146464697
N-(1,3-benzodioxol-5-yl)-N'-(2-cyanophenyl)propanediamide
CID 108956697
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of N-(6-cyano-1,3-benzodioxol-5-yl)benzamide (CID 175888730) is N-(6-cyano-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for N-(6-cyano-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for N-(6-cyano-1,3-benzodioxol-5-yl)benzamide is N#Cc1cc2c(cc1NC(=O)c1ccccc1)OCO2.
What is the InChIKey of N-(6-cyano-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is CUNJHNOFBNCNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-8-11-6-13-14(20-9-19-13)7-12(11)17-15(18)10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18).
What are the key properties of N-(6-cyano-1,3-benzodioxol-5-yl)benzamide?
N-(6-cyano-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 266.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 175888730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).