N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide

C14H20BrNO2 — CID 114103998

IUPACN-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
SMILESCCc1occc1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C14H20BrNO2/c1-3-13-10(8-9-18-13)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3
InChIKeyCQVNBYYFSSEPFO-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.62
Rot. Bonds3

About N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide

N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide (PubChem CID 114103998) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
PubChem CID114103998
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide
SMILESCCc1occc1C(=O)N(C)C1CCCCC1Br
InChIInChI=1S/C14H20BrNO2/c1-3-13-10(8-9-18-13)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3
InChIKeyCQVNBYYFSSEPFO-UHFFFAOYSA-N
XLogP3.62
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.62
H-Bond Donors ≤ 50
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 N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide (CID 114103998) is N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide is CCc1occc1C(=O)N(C)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide?
The InChIKey is CQVNBYYFSSEPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-3-13-10(8-9-18-13)14(17)16(2)12-7-5-4-6-11(12)15/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide?
N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2-ethyl-N-methylfuran-3-carboxamide is sourced from PubChem (CID 114103998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).