5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide

C16H24BrNO2 — CID 18272889

IUPAC5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H24BrNO2/c1-4-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-10-14(17)20-13/h9-12H,4-8H2,1-3H3,(H,18,19)
InChIKeyQYZRNXGASSXOQQ-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide

5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide (PubChem CID 18272889) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
PubChem CID18272889
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H24BrNO2/c1-4-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-10-14(17)20-13/h9-12H,4-8H2,1-3H3,(H,18,19)
InChIKeyQYZRNXGASSXOQQ-UHFFFAOYSA-N
XLogP4.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377
5-bromo-N-cyclododecylfuran-2-carboxamide
CID 2072742
N-(4-aminocyclohexyl)-5-bromofuran-2-carboxamide;hydrochloride
CID 119474938
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
3-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 33295118
5-bromo-N-(1-cyclopropylpiperidin-4-yl)furan-2-carboxamide
CID 60730594
5-bromo-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]thiophene-2-carboxamide
CID 79998506
4-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-3-carboxamide
CID 81229203
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
5-bromo-N-[4-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 51299744
N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazine-2-carboxamide
CID 18155873
4-[(5-bromofuran-2-carbonyl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide (CID 18272889) is 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide?
The InChIKey is QYZRNXGASSXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-4-16(2,3)11-5-7-12(8-6-11)18-15(19)13-9-10-14(17)20-13/h9-12H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide?
5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-methylbutan-2-yl)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 18272889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).