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

C14H11NO3 — CID 823562

IUPACN-(1,3-benzodioxol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(10-4-2-1-3-5-10)15-11-6-7-12-13(8-11)18-9-17-12/h1-8H,9H2,(H,15,16)
InChIKeyCYJTVYOFIOTBFR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.67
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)benzamide (PubChem CID 823562) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)benzamide
PubChem CID823562
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC NameN-(1,3-benzodioxol-5-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(10-4-2-1-3-5-10)15-11-6-7-12-13(8-11)18-9-17-12/h1-8H,9H2,(H,15,16)
InChIKeyCYJTVYOFIOTBFR-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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Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
2-({[(1,3-Dioxaindan-5-yl)carbamoyl]methyl}sulfanyl)benzoic acid
CID 2554777
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
P-Tolu-M-anisidide
CID 3977580
6-(2-Fluorophenyl)-1,3-dioxolo(4,5-g)quinolin-8(5H)-one
CID 375860
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-propoxybenzamide
CID 2173748

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)benzamide (CID 823562) is N-(1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)benzamide is O=C(Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)benzamide?
The InChIKey is CYJTVYOFIOTBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(10-4-2-1-3-5-10)15-11-6-7-12-13(8-11)18-9-17-12/h1-8H,9H2,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)benzamide?
N-(1,3-benzodioxol-5-yl)benzamide 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-(1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 823562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).