2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide

C11H14ClNO2 — CID 106685319

IUPAC2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H14ClNO2/c1-4-13(7-8(2)3)11(14)9-5-6-15-10(9)12/h5-6H,2,4,7H2,1,3H3
InChIKeyKNMGHBSOVDMUKW-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.97
Rot. Bonds4

About 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide

2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide (PubChem CID 106685319) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
PubChem CID106685319
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H14ClNO2/c1-4-13(7-8(2)3)11(14)9-5-6-15-10(9)12/h5-6H,2,4,7H2,1,3H3
InChIKeyKNMGHBSOVDMUKW-UHFFFAOYSA-N
XLogP2.97
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
2-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]furan-2-yl]acetic acid
CID 114217732
2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
N-ethyl-2,3-difluoro-N-(2-methylprop-2-enyl)pyridine-4-carboxamide
CID 105380283
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
CID 106685395
1-chloro-N-ethyl-N-(2-methylprop-2-enyl)isoquinoline-4-carboxamide
CID 106765897
2-chloro-N,N-bis(cyanomethyl)furan-3-carboxamide
CID 106685237
2-chloro-N,N-bis(furan-2-ylmethyl)furan-3-carboxamide
CID 106686174
2-chloro-N-[(4-methylphenyl)methyl]-N-propylfuran-3-carboxamide
CID 106686184
2-[[2-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]sulfanylmethyl]furan-3-carboxylic acid
CID 119179361

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide (CID 106685319) is 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide is C=C(C)CN(CC)C(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide?
The InChIKey is KNMGHBSOVDMUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-4-13(7-8(2)3)11(14)9-5-6-15-10(9)12/h5-6H,2,4,7H2,1,3H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide?
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide is sourced from PubChem (CID 106685319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).