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

C14H11NO3 — CID 876453

IUPACN-phenyl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11NO3/c16-14(15-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-17-12/h1-8H,9H2,(H,15,16)
InChIKeyBYYSRQHVIOZWEJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.67
Rot. Bonds2

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

N-phenyl-1,3-benzodioxole-5-carboxamide (PubChem CID 876453) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-phenyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,3-benzodioxole-5-carboxamide
PubChem CID876453
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC NameN-phenyl-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H11NO3/c16-14(15-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-17-12/h1-8H,9H2,(H,15,16)
InChIKeyBYYSRQHVIOZWEJ-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-phenyl-1,3-benzodioxole-5-carboxamide (CID 876453) is N-phenyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-phenyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-phenyl-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-phenyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is BYYSRQHVIOZWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(15-11-4-2-1-3-5-11)10-6-7-12-13(8-10)18-9-17-12/h1-8H,9H2,(H,15,16).
What are the key properties of N-phenyl-1,3-benzodioxole-5-carboxamide?
N-phenyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).