N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide

C13H11NO4 — CID 785847

IUPACN-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO4/c1-8-10(4-5-16-8)13(15)14-9-2-3-11-12(6-9)18-7-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyCLSNBQPWMBPZCI-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.57
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide (PubChem CID 785847) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide
PubChem CID785847
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H11NO4/c1-8-10(4-5-16-8)13(15)14-9-2-3-11-12(6-9)18-7-17-11/h2-6H,7H2,1H3,(H,14,15)
InChIKeyCLSNBQPWMBPZCI-UHFFFAOYSA-N
XLogP2.57
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-furan-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 1075689
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
(E)-N-(1,3-benzodioxol-5-yl)-3-(furan-2-yl)prop-2-enamide
CID 2303048
N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-3-carboxamide
CID 2815845
5-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carboxamide
CID 649803
3-(Acetylamino)phenyl 2-methyl-3-furoate
CID 671246
N-(1,3-benzodioxol-5-yl)-2-methoxybenzamide
CID 673511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-3-furamide
CID 701527
N-(2,2-Dimethyl-1,3-benzodioxol-5-YL)-2-furamide
CID 723583
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylfuran-3-carboxamide
CID 726075
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furamide
CID 887918

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide (CID 785847) is N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide?
The InChIKey is CLSNBQPWMBPZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-8-10(4-5-16-8)13(15)14-9-2-3-11-12(6-9)18-7-17-11/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 785847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).