2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide

C11H16ClNO2 — CID 106687245

IUPAC2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
SMILESCCCC(C)(C)NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-6-11(2,3)13-10(14)8-5-7-15-9(8)12/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyCCCFKXNVHSCIAH-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide

2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide (PubChem CID 106687245) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
PubChem CID106687245
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
SMILESCCCC(C)(C)NC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-6-11(2,3)13-10(14)8-5-7-15-9(8)12/h5,7H,4,6H2,1-3H3,(H,13,14)
InChIKeyCCCFKXNVHSCIAH-UHFFFAOYSA-N
XLogP3.24
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
2-[(2-chlorofuran-3-carbonyl)amino]-2-ethylbutanoic acid
CID 106683547
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106686516
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
N-[(1Z)-1-amino-1-hydroxyimino-2-methylbutan-2-yl]-2-chlorofuran-3-carboxamide
CID 106689285
2-bromo-4-chloro-N-(2-methylpentan-2-yl)benzamide
CID 103764879
3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009
2-[(2-chlorofuran-3-carbonyl)amino]pentanoic acid
CID 106683349
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide (CID 106687245) is 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide is CCCC(C)(C)NC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide?
The InChIKey is CCCFKXNVHSCIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-4-6-11(2,3)13-10(14)8-5-7-15-9(8)12/h5,7H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide?
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide is sourced from PubChem (CID 106687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).