2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide

C11H16ClNO3 — CID 106687325

IUPAC2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
SMILESCC(C)COCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO3/c1-8(2)7-15-6-4-13-11(14)9-3-5-16-10(9)12/h3,5,8H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQZCIWWBMNHSIBV-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.34
Rot. Bonds6

About 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide

2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide (PubChem CID 106687325) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
PubChem CID106687325
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide
SMILESCC(C)COCCNC(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO3/c1-8(2)7-15-6-4-13-11(14)9-3-5-16-10(9)12/h3,5,8H,4,6-7H2,1-2H3,(H,13,14)
InChIKeyQZCIWWBMNHSIBV-UHFFFAOYSA-N
XLogP2.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]furan-3-carboxamide
CID 106812685
5-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 60533216
2-chloro-N-(2-methylpropoxy)furan-3-carboxamide
CID 106688367
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2,3-dihydroxy-N-[2-(2-methylpropoxy)ethyl]benzamide
CID 114344735
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
2-chloro-N-[2-(diethylamino)ethyl]furan-3-carboxamide
CID 106685261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide (CID 106687325) is 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide is CC(C)COCCNC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide?
The InChIKey is QZCIWWBMNHSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-8(2)7-15-6-4-13-11(14)9-3-5-16-10(9)12/h3,5,8H,4,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide?
2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-methylpropoxy)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106687325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).