N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide

C12H9Cl2NO2 — CID 903579

IUPACN-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-7-8(5-6-17-7)12(16)15-10-4-2-3-9(13)11(10)14/h2-6H,1H3,(H,15,16)
InChIKeyWNYPDHFUANBOQT-UHFFFAOYSA-N
MW270.12 g/mol
LogP4.15
Rot. Bonds2

About N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide

N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 903579) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID903579
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC NameN-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H9Cl2NO2/c1-7-8(5-6-17-7)12(16)15-10-4-2-3-9(13)11(10)14/h2-6H,1H3,(H,15,16)
InChIKeyWNYPDHFUANBOQT-UHFFFAOYSA-N
XLogP4.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide (CID 903579) is N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is WNYPDHFUANBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-7-8(5-6-17-7)12(16)15-10-4-2-3-9(13)11(10)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide?
N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 270.12 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 903579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).