N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide

C17H22BrNO2 — CID 106852949

IUPACN-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccoc1Br
InChIInChI=1S/C17H22BrNO2/c18-15-14(1-4-21-15)16(20)19-3-2-17-8-11-5-12(9-17)7-13(6-11)10-17/h1,4,11-13H,2-3,5-10H2,(H,19,20)
InChIKeyRTFIWZCVMHLRIL-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.38
Rot. Bonds4

About N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide

N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide (PubChem CID 106852949) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
PubChem CID106852949
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccoc1Br
InChIInChI=1S/C17H22BrNO2/c18-15-14(1-4-21-15)16(20)19-3-2-17-8-11-5-12(9-17)7-13(6-11)10-17/h1,4,11-13H,2-3,5-10H2,(H,19,20)
InChIKeyRTFIWZCVMHLRIL-UHFFFAOYSA-N
XLogP4.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-2-iodobenzamide
CID 23968567
N-[4-[2-(1-adamantyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 26285211
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
2-bromo-N-(2-cyclohexylethyl)furan-3-carboxamide
CID 106852683
2-bromo-N-(3-iodopropyl)furan-3-carboxamide
CID 106856228
N-(4-amino-4-oxobutyl)-2-bromofuran-3-carboxamide
CID 106852672
N-(5-amino-5-oxopentyl)-2-bromofuran-3-carboxamide
CID 106899036
2-bromo-N-[[1-(2-bromoethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106856232
2-bromo-N-[3-(ethylamino)propyl]furan-3-carboxamide
CID 106855035
2-bromo-N-[3-(dimethylamino)propyl]furan-3-carboxamide
CID 106852493

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide (CID 106852949) is N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccoc1Br.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide?
The InChIKey is RTFIWZCVMHLRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c18-15-14(1-4-21-15)16(20)19-3-2-17-8-11-5-12(9-17)7-13(6-11)10-17/h1,4,11-13H,2-3,5-10H2,(H,19,20).
What are the key properties of N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide?
N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-2-bromofuran-3-carboxamide is sourced from PubChem (CID 106852949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).