2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide

C11H16ClNO2 — CID 106687305

IUPAC2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-11(2,3)5-6-13-10(14)8-4-7-15-9(8)12/h4,7H,5-6H2,1-3H3,(H,13,14)
InChIKeyMCDDQKHTDVGMEO-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.10
Rot. Bonds3

About 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide

2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide (PubChem CID 106687305) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
PubChem CID106687305
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
SMILESCC(C)(C)CCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-11(2,3)5-6-13-10(14)8-4-7-15-9(8)12/h4,7H,5-6H2,1-3H3,(H,13,14)
InChIKeyMCDDQKHTDVGMEO-UHFFFAOYSA-N
XLogP3.10
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-propylfuran-3-carboxamide
CID 106685121
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-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
CID 106687009
2-chloro-N-(3-methylsulfinylpropyl)furan-3-carboxamide
CID 106687268
N-(5-amino-5-oxopentyl)-2-chlorofuran-3-carboxamide
CID 106812546
2-chloro-N-(2-methylpentan-2-yl)furan-3-carboxamide
CID 106687245
2-chloro-N-pent-4-ynylfuran-3-carboxamide
CID 106812151
2-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]furan-3-carboxamide
CID 106687261
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
CID 106687325
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide (CID 106687305) is 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide is CC(C)(C)CCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide?
The InChIKey is MCDDQKHTDVGMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-11(2,3)5-6-13-10(14)8-4-7-15-9(8)12/h4,7H,5-6H2,1-3H3,(H,13,14).
What are the key properties of 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide?
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide is sourced from PubChem (CID 106687305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).