5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide

C9H12ClNO3 — CID 65109429

IUPAC5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO3/c1-9(2,13)5-11-8(12)6-3-4-7(10)14-6/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyWXUOCVZRVOBMHE-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.43
Rot. Bonds3

About 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide

5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide (PubChem CID 65109429) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
PubChem CID65109429
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C9H12ClNO3/c1-9(2,13)5-11-8(12)6-3-4-7(10)14-6/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKeyWXUOCVZRVOBMHE-UHFFFAOYSA-N
XLogP1.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
CID 111483845
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
5-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111482154
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
CID 106690035
2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide (CID 65109429) is 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide is CC(C)(O)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide?
The InChIKey is WXUOCVZRVOBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-9(2,13)5-11-8(12)6-3-4-7(10)14-6/h3-4,13H,5H2,1-2H3,(H,11,12).
What are the key properties of 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide?
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide has a molecular weight of 217.65 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 65109429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).