N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide

C11H17ClN2O2 — CID 106688596

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-7(2)11(3,6-13)14-10(15)8-4-5-16-9(8)12/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyATBYUIBKVBVQFC-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.04
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide

N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide (PubChem CID 106688596) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
PubChem CID106688596
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide
SMILESCC(C)C(C)(CN)NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H17ClN2O2/c1-7(2)11(3,6-13)14-10(15)8-4-5-16-9(8)12/h4-5,7H,6,13H2,1-3H3,(H,14,15)
InChIKeyATBYUIBKVBVQFC-UHFFFAOYSA-N
XLogP2.04
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-(propylamino)propan-2-yl]furan-3-carboxamide
CID 45859689
2-chloro-N-[(2S)-1-cyanobutan-2-yl]furan-3-carboxamide
CID 164643454
2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106685254
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 106686153
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686302
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686303
2-chloro-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686312
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686314
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686317
2-chloro-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]furan-3-carboxamide
CID 106686322
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686332
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide (CID 106688596) is N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide is CC(C)C(C)(CN)NC(=O)c1ccoc1Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide?
The InChIKey is ATBYUIBKVBVQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7(2)11(3,6-13)14-10(15)8-4-5-16-9(8)12/h4-5,7H,6,13H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide has a molecular weight of 244.72 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).