4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide

C15H10N2O3 — CID 54312869

IUPAC4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide
SMILESN#Cc1c(C(=O)Nc2ccccc2)ccc2c1OCO2
InChIInChI=1S/C15H10N2O3/c16-8-12-11(6-7-13-14(12)20-9-19-13)15(18)17-10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18)
InChIKeySMCXCNZWYIFFKM-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.54
Rot. Bonds2

About 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide

4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide (PubChem CID 54312869) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide
PubChem CID54312869
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide
SMILESN#Cc1c(C(=O)Nc2ccccc2)ccc2c1OCO2
InChIInChI=1S/C15H10N2O3/c16-8-12-11(6-7-13-14(12)20-9-19-13)15(18)17-10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18)
InChIKeySMCXCNZWYIFFKM-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

Analyze 4-cyano-N-phenyl-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

N-(4-bromophenyl)-1,3-benzodioxole-4-carboxamide
CID 110699494
N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730
N-[6-(1,3-benzodioxole-4-carbonylamino)anthracen-2-yl]-1,3-benzodioxole-4-carboxamide
CID 101095834
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057769
2-amino-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 25499084
N-(4-formyl-1,3-benzodioxol-5-yl)benzamide
CID 175888729
3-(1,3-benzodioxol-4-yl)-N-(2-cyanophenyl)propanamide
CID 110864608
2-hydroxy-N-phenylbenzamide
CID 157209959
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109047465
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
2-(2-cyanophenyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide
CID 9360404
2-hydrazinyl-N-phenylbenzamide
CID 12569370

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide (CID 54312869) is 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide is N#Cc1c(C(=O)Nc2ccccc2)ccc2c1OCO2.
What is the InChIKey of 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is SMCXCNZWYIFFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-8-12-11(6-7-13-14(12)20-9-19-13)15(18)17-10-4-2-1-3-5-10/h1-7H,9H2,(H,17,18).
What are the key properties of 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide?
4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide 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 4-cyano-N-phenyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 54312869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).