N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide

C14H18BrNO2 — CID 1292970

IUPACN-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)o1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H18BrNO2/c1-8(11-7-9-2-3-10(11)6-9)16-14(17)12-4-5-13(15)18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)/t8-,9+,10-,11+/m0/s1
InChIKeyOSTCUPUZPHLOBB-ZRUFSTJUSA-N
MW312.21 g/mol
LogP3.60
Rot. Bonds3

About N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide

N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide (PubChem CID 1292970) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
PubChem CID1292970
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC NameN-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)o1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C14H18BrNO2/c1-8(11-7-9-2-3-10(11)6-9)16-14(17)12-4-5-13(15)18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)/t8-,9+,10-,11+/m0/s1
InChIKeyOSTCUPUZPHLOBB-ZRUFSTJUSA-N
XLogP3.60
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
N-[(1S)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 2404747
5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708
5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
CID 55069127
5-(benzenesulfonylmethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]furan-2-carboxamide
CID 51157629
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19463742
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 84578203
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 98421287
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19580094
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98332411
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450842

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide (CID 1292970) is N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide is C[C@H](NC(=O)c1ccc(Br)o1)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide?
The InChIKey is OSTCUPUZPHLOBB-ZRUFSTJUSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-8(11-7-9-2-3-10(11)6-9)16-14(17)12-4-5-13(15)18-12/h4-5,8-11H,2-3,6-7H2,1H3,(H,16,17)/t8-,9+,10-,11+/m0/s1.
What are the key properties of N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide?
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 1292970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).