2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide

C10H12ClNO3 — CID 106685015

IUPAC2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyMERMSNULYYZPRF-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.89
Rot. Bonds4

About 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide

2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide (PubChem CID 106685015) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
PubChem CID106685015
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
SMILESCC(C)C(=O)CNC(=O)c1ccoc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6H,5H2,1-2H3,(H,12,14)
InChIKeyMERMSNULYYZPRF-UHFFFAOYSA-N
XLogP1.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-[(2S)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106688386
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide (CID 106685015) is 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide is CC(C)C(=O)CNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide?
The InChIKey is MERMSNULYYZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(2)8(13)5-12-10(14)7-3-4-15-9(7)11/h3-4,6H,5H2,1-2H3,(H,12,14).
What are the key properties of 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide?
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide has a molecular weight of 229.66 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide is sourced from PubChem (CID 106685015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).