5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide

C15H16BrNO2 — CID 2971387

IUPAC5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrNO2/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)13-6-7-14(16)19-13/h4-8,11H,1-3H3,(H,17,18)
InChIKeyWQWSRQOIGLOXTM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.15
Rot. Bonds3

About 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide (PubChem CID 2971387) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
PubChem CID2971387
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrNO2/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)13-6-7-14(16)19-13/h4-8,11H,1-3H3,(H,17,18)
InChIKeyWQWSRQOIGLOXTM-UHFFFAOYSA-N
XLogP4.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide (CID 2971387) is 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is WQWSRQOIGLOXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-9-4-5-10(2)12(8-9)11(3)17-15(18)13-6-7-14(16)19-13/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[1-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 322.20 g/mol, XLogP of 4.15, 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-(2,5-dimethylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).