N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide

C13H19ClN2O2 — CID 79711588

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClN2O2/c1-12(2)10(15)13(3,4)11(12)16-9(17)7-5-6-8(14)18-7/h5-6,10-11H,15H2,1-4H3,(H,16,17)
InChIKeyRHWKJFWKEOKOIC-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.42
Rot. Bonds2

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide (PubChem CID 79711588) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide
PubChem CID79711588
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide
SMILESCC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C13H19ClN2O2/c1-12(2)10(15)13(3,4)11(12)16-9(17)7-5-6-8(14)18-7/h5-6,10-11H,15H2,1-4H3,(H,16,17)
InChIKeyRHWKJFWKEOKOIC-UHFFFAOYSA-N
XLogP2.42
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chlorobenzamide
CID 79710945
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)furan-2-carboxamide
CID 113239526
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chloro-2-methoxybenzamide
CID 79698778
5-chloro-N-(oxolan-3-yl)furan-2-carboxamide
CID 103839350
5-chloro-N-(1-methylcyclobutyl)furan-2-carboxamide
CID 71909913
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-4-methylbenzamide
CID 79711256
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 79698757
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-fluoropyridine-4-carboxamide
CID 79711836
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-1-benzylpyrrole-2-carboxamide
CID 113250333
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide (CID 79711588) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide is CC1(C)C(N)C(C)(C)C1NC(=O)c1ccc(Cl)o1.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide?
The InChIKey is RHWKJFWKEOKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-12(2)10(15)13(3,4)11(12)16-9(17)7-5-6-8(14)18-7/h5-6,10-11H,15H2,1-4H3,(H,16,17).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 79711588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).