2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide

C9H11ClN2O2 — CID 130944192

IUPAC2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide
SMILESCC1(NC(=O)c2ccoc2Cl)CNC1
InChIInChI=1S/C9H11ClN2O2/c1-9(4-11-5-9)12-8(13)6-2-3-14-7(6)10/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyUWNFQMPRRJOXLM-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.02
Rot. Bonds2

About 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide

2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide (PubChem CID 130944192) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide
PubChem CID130944192
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide
SMILESCC1(NC(=O)c2ccoc2Cl)CNC1
InChIInChI=1S/C9H11ClN2O2/c1-9(4-11-5-9)12-8(13)6-2-3-14-7(6)10/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyUWNFQMPRRJOXLM-UHFFFAOYSA-N
XLogP1.02
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide (CID 130944192) is 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide is CC1(NC(=O)c2ccoc2Cl)CNC1.
What is the InChIKey of 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide?
The InChIKey is UWNFQMPRRJOXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-9(4-11-5-9)12-8(13)6-2-3-14-7(6)10/h2-3,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide?
2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide has a molecular weight of 214.65 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylazetidin-3-yl)furan-3-carboxamide is sourced from PubChem (CID 130944192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).