5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide

C11H12ClNO2 — CID 103678730

IUPAC5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide
SMILESO=C(NC1CC=CCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyLRLFFNJFDHMSPX-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide

5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide (PubChem CID 103678730) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide
PubChem CID103678730
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide
SMILESO=C(NC1CC=CCC1)c1ccc(Cl)o1
InChIInChI=1S/C11H12ClNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14)
InChIKeyLRLFFNJFDHMSPX-UHFFFAOYSA-N
XLogP2.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(oxolan-3-yl)furan-2-carboxamide
CID 103839350
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-chlorofuran-2-carboxamide
CID 61237544
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)furan-2-carboxamide
CID 104693605
5-chloro-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 138024474
5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606885
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-chloro-N-cyclohex-3-en-1-yl-3-nitrobenzamide
CID 112576423
N-cyclohex-3-en-1-yl-2-fluoro-4-methylbenzamide
CID 79796109
N-cyclohex-3-en-1-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107363122
5-chloro-N-[(4-chlorocyclohexyl)methyl]furan-2-carboxamide
CID 106133378
5-chloro-N-(cyclohexylmethyl)furan-2-carboxamide
CID 35895984
5-chloro-N-[4-[[4-(methoxymethyl)thiophene-2-carbonyl]amino]cyclohexyl]furan-2-carboxamide
CID 138007289

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide (CID 103678730) is 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide is O=C(NC1CC=CCC1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide?
The InChIKey is LRLFFNJFDHMSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h1-2,6-8H,3-5H2,(H,13,14).
What are the key properties of 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide?
5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohex-3-en-1-ylfuran-2-carboxamide is sourced from PubChem (CID 103678730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).