5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide

C15H22BrNO2 — CID 103966929

IUPAC5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)C1
InChIInChI=1S/C15H22BrNO2/c1-14(2)7-10(8-15(3,4)9-14)17-13(18)11-5-6-12(16)19-11/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeySAEBYXGNMOKBIV-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.38
Rot. Bonds2

About 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide

5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide (PubChem CID 103966929) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
PubChem CID103966929
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)C1
InChIInChI=1S/C15H22BrNO2/c1-14(2)7-10(8-15(3,4)9-14)17-13(18)11-5-6-12(16)19-11/h5-6,10H,7-9H2,1-4H3,(H,17,18)
InChIKeySAEBYXGNMOKBIV-UHFFFAOYSA-N
XLogP4.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
4-(bromomethyl)-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 102852021
5-bromo-N-[(2,2-dimethylcyclopropyl)methyl]furan-2-carboxamide
CID 103659452
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
5-methyl-N-[[(1S,5R)-1,3,3-trimethyl-5-[(5-methylfuran-2-carbonyl)amino]cyclohexyl]methyl]furan-2-carboxamide
CID 40601347
5-bromo-N-(2,2-dimethylcyclohexyl)furan-2-carboxamide
CID 79879003
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
CID 154835131
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
CID 18272889

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide (CID 103966929) is 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide is CC1(C)CC(NC(=O)c2ccc(Br)o2)CC(C)(C)C1.
What is the InChIKey of 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide?
The InChIKey is SAEBYXGNMOKBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-14(2)7-10(8-15(3,4)9-14)17-13(18)11-5-6-12(16)19-11/h5-6,10H,7-9H2,1-4H3,(H,17,18).
What are the key properties of 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide?
5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide has a molecular weight of 328.25 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,5,5-tetramethylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 103966929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).