N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide

C14H20BrNO2 — CID 114317495

IUPACN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C14H20BrNO2/c1-10-6-7-18-13(10)14(17)16-9-12-5-3-2-4-11(12)8-15/h6-7,11-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeySDBHEXDDEOFZRN-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.52
Rot. Bonds4

About N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide

N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 114317495) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
PubChem CID114317495
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCCC1CBr
InChIInChI=1S/C14H20BrNO2/c1-10-6-7-18-13(10)14(17)16-9-12-5-3-2-4-11(12)8-15/h6-7,11-12H,2-5,8-9H2,1H3,(H,16,17)
InChIKeySDBHEXDDEOFZRN-UHFFFAOYSA-N
XLogP3.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylfuran-2-carboxamide
CID 114317234
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-chloro-2-methylbenzamide
CID 107100189
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-chlorobenzamide
CID 114317422
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 114317011

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide (CID 114317495) is N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC1CCCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is SDBHEXDDEOFZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-6-7-18-13(10)14(17)16-9-12-5-3-2-4-11(12)8-15/h6-7,11-12H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide?
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 314.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 114317495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).