N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide

C14H20BrNO2 — CID 114823139

IUPACN-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C2CCCCC2)co1
InChIInChI=1S/C14H20BrNO2/c1-11-9-12(10-18-11)14(17)16(8-7-15)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3
InChIKeyBLMKHFYEMLPSFB-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.76
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide

N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide (PubChem CID 114823139) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
PubChem CID114823139
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)N(CCBr)C2CCCCC2)co1
InChIInChI=1S/C14H20BrNO2/c1-11-9-12(10-18-11)14(17)16(8-7-15)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3
InChIKeyBLMKHFYEMLPSFB-UHFFFAOYSA-N
XLogP3.76
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102872443
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978
N-(2-bromoethyl)-3,5-dichloro-N-cyclohexylbenzamide
CID 80658625
N-(2-cyanoethyl)-N-cyclopropyl-5-methylfuran-3-carboxamide
CID 114820604
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-(2-bromoethyl)-N-cyclohexyl-3-methyl-1,2-oxazole-5-carboxamide
CID 80659426
N-(2-bromoethyl)-N-cyclopentylpyrimidine-5-carboxamide
CID 102922719
4-bromo-N-(2-bromoethyl)-N-cyclohexyl-2-methylbenzamide
CID 80658918
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-2-chloro-N-cyclohexylfuran-3-carboxamide
CID 106689912

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide (CID 114823139) is N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide is Cc1cc(C(=O)N(CCBr)C2CCCCC2)co1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide?
The InChIKey is BLMKHFYEMLPSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-9-12(10-18-11)14(17)16(8-7-15)13-5-3-2-4-6-13/h9-10,13H,2-8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide?
N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114823139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).