N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide

C13H12N2O3 — CID 897925

IUPACN-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H12N2O3/c1-8-9(6-7-18-8)13(17)15-11-5-3-2-4-10(11)12(14)16/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyZJMMRBIXAYFSIL-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.94
Rot. Bonds3

About N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide

N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide (PubChem CID 897925) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide
PubChem CID897925
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H12N2O3/c1-8-9(6-7-18-8)13(17)15-11-5-3-2-4-10(11)12(14)16/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeyZJMMRBIXAYFSIL-UHFFFAOYSA-N
XLogP1.94
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide (CID 897925) is N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is ZJMMRBIXAYFSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-9(6-7-18-8)13(17)15-11-5-3-2-4-10(11)12(14)16/h2-7H,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide?
N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 897925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).