N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide

C16H20BrNO2 — CID 154834349

IUPACN-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrNO2/c1-9-2-13(17)20-14(9)15(19)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h2,10-12H,3-8H2,1H3,(H,18,19)
InChIKeyIQDQYDFZGPONSN-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.05
Rot. Bonds2

About N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide

N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide (PubChem CID 154834349) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
PubChem CID154834349
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
SMILESCc1cc(Br)oc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrNO2/c1-9-2-13(17)20-14(9)15(19)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h2,10-12H,3-8H2,1H3,(H,18,19)
InChIKeyIQDQYDFZGPONSN-UHFFFAOYSA-N
XLogP4.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7732516
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CID 115745078
N-(1-bicyclo[1.1.1]pentanyl)-3-bromo-5-methylbenzamide
CID 166001396
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
CID 57309710
1-(1-adamantyl)-3-(4-bromo-3-methylphenyl)urea
CID 108896079
N-(1-adamantyl)-4-bromo-3-chlorobenzamide
CID 81295141
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-bicyclo[1.1.1]pentanyl)-2-bromo-5-methylbenzamide
CID 172646961
N-(1-adamantyl)-4-[2-(3-fluoro-4-methylphenyl)ethynyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 59436807
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CID 5022507

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide (CID 154834349) is N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide is Cc1cc(Br)oc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide?
The InChIKey is IQDQYDFZGPONSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-9-2-13(17)20-14(9)15(19)18-16-6-10-3-11(7-16)5-12(4-10)8-16/h2,10-12H,3-8H2,1H3,(H,18,19).
What are the key properties of N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide?
N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide is sourced from PubChem (CID 154834349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).