N-(4-formyl-1,3-benzodioxol-5-yl)benzamide

C15H11NO4 — CID 175888729

IUPACN-(4-formyl-1,3-benzodioxol-5-yl)benzamide
SMILESO=Cc1c(NC(=O)c2ccccc2)ccc2c1OCO2
InChIInChI=1S/C15H11NO4/c17-8-11-12(6-7-13-14(11)20-9-19-13)16-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyUXHRKWVQAPWNOL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.48
Rot. Bonds3

About N-(4-formyl-1,3-benzodioxol-5-yl)benzamide

N-(4-formyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 175888729) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(4-formyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound NameN-(4-formyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID175888729
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC NameN-(4-formyl-1,3-benzodioxol-5-yl)benzamide
SMILESO=Cc1c(NC(=O)c2ccccc2)ccc2c1OCO2
InChIInChI=1S/C15H11NO4/c17-8-11-12(6-7-13-14(11)20-9-19-13)16-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKeyUXHRKWVQAPWNOL-UHFFFAOYSA-N
XLogP2.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(6-cyano-1,3-benzodioxol-5-yl)benzamide
CID 175888730
N-(6-nitro-1,3-benzodioxol-5-yl)benzamide
CID 60703620
N-(6-acetyl-1,3-benzodioxol-5-yl)-4-benzamidobenzamide
CID 36753669
(Z)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 45053203
N-(5-formylfuran-2-yl)benzamide
CID 101198760
(E)-3-(1,3-benzodioxol-4-yl)prop-2-enoic acid
CID 6113665
N-(1,3-benzodioxol-5-ylcarbamoyl)benzamide
CID 35142870
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 110778003
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
methyl (E)-3-(5-hydroxy-1,3-benzodioxol-4-yl)prop-2-enoate
CID 71605511
N-[2-(ethylaminomethyl)phenyl]-1,3-benzodioxole-4-carboxamide;hydrochloride
CID 126766305
N-[4-(5-formylfuran-2-yl)-2-methylphenyl]benzamide
CID 169334090

Frequently Asked Questions

What is the IUPAC name of N-(4-formyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of N-(4-formyl-1,3-benzodioxol-5-yl)benzamide (CID 175888729) is N-(4-formyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for N-(4-formyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for N-(4-formyl-1,3-benzodioxol-5-yl)benzamide is O=Cc1c(NC(=O)c2ccccc2)ccc2c1OCO2.
What is the InChIKey of N-(4-formyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is UXHRKWVQAPWNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-8-11-12(6-7-13-14(11)20-9-19-13)16-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18).
What are the key properties of N-(4-formyl-1,3-benzodioxol-5-yl)benzamide?
N-(4-formyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 269.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-formyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 175888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).