5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide

C13H18ClNO3 — CID 113239526

IUPAC5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(Cl)o2)C1(C)C
InChIInChI=1S/C13H18ClNO3/c1-4-17-10-7-9(13(10,2)3)15-12(16)8-5-6-11(14)18-8/h5-6,9-10H,4,7H2,1-3H3,(H,15,16)
InChIKeyFRERSURCZUQVQI-UHFFFAOYSA-N
MW271.74 g/mol
LogP2.87
Rot. Bonds4

About 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide

5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide (PubChem CID 113239526) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
PubChem CID113239526
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Name5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
SMILESCCOC1CC(NC(=O)c2ccc(Cl)o2)C1(C)C
InChIInChI=1S/C13H18ClNO3/c1-4-17-10-7-9(13(10,2)3)15-12(16)8-5-6-11(14)18-8/h5-6,9-10H,4,7H2,1-3H3,(H,15,16)
InChIKeyFRERSURCZUQVQI-UHFFFAOYSA-N
XLogP2.87
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-ethoxy-2,2-dimethylcyclobutyl)carbamoyl]thiophene-2-carboxylic acid
CID 103790354
3-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbenzamide
CID 103707615
5-[[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]carbamoyl]furan-2-carboxylic acid
CID 124683900
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,6-difluorobenzamide
CID 103747020
2-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-fluorobenzamide
CID 103733928
6-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 103832164
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 103824832
5-(dimethoxymethyl)-N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]furan-2-carboxamide
CID 100610935
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide
CID 79711588
N-(3-ethoxy-2,2-dimethylcyclobutyl)-1H-indole-7-carboxamide
CID 103707614
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 64850745
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide (CID 113239526) is 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide is CCOC1CC(NC(=O)c2ccc(Cl)o2)C1(C)C.
What is the InChIKey of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide?
The InChIKey is FRERSURCZUQVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-4-17-10-7-9(13(10,2)3)15-12(16)8-5-6-11(14)18-8/h5-6,9-10H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide?
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide has a molecular weight of 271.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide is sourced from PubChem (CID 113239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).