5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide

C15H16BrNO2 — CID 3246782

IUPAC5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-11(7-8-12-5-3-2-4-6-12)17-15(18)13-9-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyCGRBGEGNEXDWIP-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.79
Rot. Bonds5

About 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide

5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide (PubChem CID 3246782) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide
PubChem CID3246782
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C15H16BrNO2/c1-11(7-8-12-5-3-2-4-6-12)17-15(18)13-9-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,17,18)
InChIKeyCGRBGEGNEXDWIP-UHFFFAOYSA-N
XLogP3.79
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide (CID 3246782) is 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
The InChIKey is CGRBGEGNEXDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-11(7-8-12-5-3-2-4-6-12)17-15(18)13-9-10-14(16)19-13/h2-6,9-11H,7-8H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide?
5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-phenylbutan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3246782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).