4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide

C14H20ClNO2 — CID 82109782

IUPAC4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCC2CCCCC2)cc1CCl
InChIInChI=1S/C14H20ClNO2/c1-10-12(8-15)7-13(18-10)14(17)16-9-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyXYUJTPYQCYPYDM-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.64
Rot. Bonds4

About 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide

4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide (PubChem CID 82109782) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
PubChem CID82109782
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide
SMILESCc1oc(C(=O)NCC2CCCCC2)cc1CCl
InChIInChI=1S/C14H20ClNO2/c1-10-12(8-15)7-13(18-10)14(17)16-9-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,16,17)
InChIKeyXYUJTPYQCYPYDM-UHFFFAOYSA-N
XLogP3.64
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide?
The IUPAC name of 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide (CID 82109782) is 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide is Cc1oc(C(=O)NCC2CCCCC2)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide?
The InChIKey is XYUJTPYQCYPYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-12(8-15)7-13(18-10)14(17)16-9-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,16,17).
What are the key properties of 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide?
4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide has a molecular weight of 269.77 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(cyclohexylmethyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 82109782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).