5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide

C15H14BrNO2 — CID 51273024

IUPAC5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc(Br)o1
InChIInChI=1S/C15H14BrNO2/c16-13-8-7-12(19-13)14(18)17-15(9-4-10-15)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10H2,(H,17,18)
InChIKeyXJTUPZFCRBBRGF-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide

5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide (PubChem CID 51273024) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide
PubChem CID51273024
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCC1)c1ccc(Br)o1
InChIInChI=1S/C15H14BrNO2/c16-13-8-7-12(19-13)14(18)17-15(9-4-10-15)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10H2,(H,17,18)
InChIKeyXJTUPZFCRBBRGF-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylcyclopentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95379084
4-(methoxymethyl)-N-(1-phenylcyclobutyl)benzamide
CID 51273147
5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
CID 86777635
1-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912857
3-bromo-N-(1-phenylcyclopropyl)furan-2-carboxamide
CID 75377332
N-[2-oxo-2-[(1-phenylcyclobutyl)amino]ethyl]benzamide
CID 134056216
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
2-(4-nitrophenyl)-N-(1-phenylcyclobutyl)acetamide
CID 51273047
1-oxido-N-(1-phenylcyclobutyl)pyridin-1-ium-2-carboxamide
CID 75364117
4-methylsulfinyl-N-(1-phenylcyclobutyl)benzamide
CID 51273167
1-[[(5-bromofuran-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361990

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide (CID 51273024) is 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide is O=C(NC1(c2ccccc2)CCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide?
The InChIKey is XJTUPZFCRBBRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-8-7-12(19-13)14(18)17-15(9-4-10-15)11-5-2-1-3-6-11/h1-3,5-8H,4,9-10H2,(H,17,18).
What are the key properties of 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide?
5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-phenylcyclobutyl)furan-2-carboxamide is sourced from PubChem (CID 51273024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).