5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide

C11H16ClNO3 — CID 111483845

IUPAC5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClNO3/c1-7(2)11(3,15)6-13-10(14)8-4-5-9(12)16-8/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyXEYINHMTEATCFU-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.07
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide

5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide (PubChem CID 111483845) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
PubChem CID111483845
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClNO3/c1-7(2)11(3,15)6-13-10(14)8-4-5-9(12)16-8/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyXEYINHMTEATCFU-UHFFFAOYSA-N
XLogP2.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
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-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-(2-bromobutyl)-5-chlorofuran-2-carboxamide
CID 106690154
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-(2-hydroxy-2,3-dimethylpentyl)-5-(methoxymethyl)furan-2-carboxamide
CID 111446484
N-(1-bromo-2-methylpropan-2-yl)-5-chlorofuran-2-carboxamide
CID 106690035
3-[(5-chlorofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide (CID 111483845) is 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide is CC(C)C(C)(O)CNC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide?
The InChIKey is XEYINHMTEATCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-7(2)11(3,15)6-13-10(14)8-4-5-9(12)16-8/h4-5,7,15H,6H2,1-3H3,(H,13,14).
What are the key properties of 5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide?
5-chloro-N-(2-hydroxy-2,3-dimethylbutyl)furan-2-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 2.07, 4 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-2,3-dimethylbutyl)furan-2-carboxamide is sourced from PubChem (CID 111483845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).