N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide

C11H16ClNO2 — CID 106168112

IUPACN-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1ccoc1
InChIInChI=1S/C11H16ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyGICSULSQAKFAOA-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.81
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide

N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide (PubChem CID 106168112) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
PubChem CID106168112
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1ccoc1
InChIInChI=1S/C11H16ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14)
InChIKeyGICSULSQAKFAOA-UHFFFAOYSA-N
XLogP2.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-2-methylbutan-2-yl)furan-3-carboxamide
CID 114314292
N-(1-chloro-3-methylpentan-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106168152
N-(4-hydroxy-2-methylbutan-2-yl)furan-3-carboxamide
CID 115869863
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
2-(furan-3-carbonylamino)-2-methylpropanoic acid
CID 61262985
N-(1-chloro-3-methylpentan-3-yl)-1-methylpyrazole-3-carboxamide
CID 106168564
N-(1-chloro-3-methylpentan-3-yl)-3-methyl-4-nitrobenzamide
CID 106168375
N-(2-methylbut-3-yn-2-yl)furan-3-carboxamide
CID 63998131
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(1-chloro-3-methylpentan-3-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 106168663

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide (CID 106168112) is N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide is CCC(C)(CCCl)NC(=O)c1ccoc1.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide?
The InChIKey is GICSULSQAKFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-3-11(2,5-6-12)13-10(14)9-4-7-15-8-9/h4,7-8H,3,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)furan-3-carboxamide is sourced from PubChem (CID 106168112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).