5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide

C12H14ClNO3 — CID 106685019

IUPAC5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CCC(=O)CC1
InChIInChI=1S/C12H14ClNO3/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h6-8H,2-5H2,1H3
InChIKeyZHARBJCCYYGRSQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.52
Rot. Bonds2

About 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide

5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide (PubChem CID 106685019) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
PubChem CID106685019
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide
SMILESCN(C(=O)c1ccc(Cl)o1)C1CCC(=O)CC1
InChIInChI=1S/C12H14ClNO3/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h6-8H,2-5H2,1H3
InChIKeyZHARBJCCYYGRSQ-UHFFFAOYSA-N
XLogP2.52
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide (CID 106685019) is 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide is CN(C(=O)c1ccc(Cl)o1)C1CCC(=O)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide?
The InChIKey is ZHARBJCCYYGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c1-14(8-2-4-9(15)5-3-8)12(16)10-6-7-11(13)17-10/h6-8H,2-5H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide?
5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(4-oxocyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 106685019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).