N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide

C17H21BrN2O3 — CID 17392545

IUPACN-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)19-9-15(21)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,22)(H,20,21)
InChIKeyWCAKCZSHXFMSCY-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide

N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide (PubChem CID 17392545) has the molecular formula C17H21BrN2O3 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
PubChem CID17392545
Molecular FormulaC17H21BrN2O3
Molecular Weight381.27 g/mol
Exact Mass380.07
IUPAC NameN-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)19-9-15(21)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,22)(H,20,21)
InChIKeyWCAKCZSHXFMSCY-UHFFFAOYSA-N
XLogP2.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide (CID 17392545) is N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
The InChIKey is WCAKCZSHXFMSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O3/c18-14-2-1-13(23-14)16(22)19-9-15(21)20-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,10-12H,3-9H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide?
N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)-2-oxoethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 17392545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).