5-(4-bromophenyl)-N-phenylfuran-2-carboxamide

C17H12BrNO2 — CID 2904011

IUPAC5-(4-bromophenyl)-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H12BrNO2/c18-13-8-6-12(7-9-13)15-10-11-16(21-15)17(20)19-14-4-2-1-3-5-14/h1-11H,(H,19,20)
InChIKeyACFDHRGCMPAHBH-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.96
Rot. Bonds3

About 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide

5-(4-bromophenyl)-N-phenylfuran-2-carboxamide (PubChem CID 2904011) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-phenylfuran-2-carboxamide
PubChem CID2904011
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name5-(4-bromophenyl)-N-phenylfuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C17H12BrNO2/c18-13-8-6-12(7-9-13)15-10-11-16(21-15)17(20)19-14-4-2-1-3-5-14/h1-11H,(H,19,20)
InChIKeyACFDHRGCMPAHBH-UHFFFAOYSA-N
XLogP4.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide (CID 2904011) is 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide is O=C(Nc1ccccc1)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide?
The InChIKey is ACFDHRGCMPAHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-13-8-6-12(7-9-13)15-10-11-16(21-15)17(20)19-14-4-2-1-3-5-14/h1-11H,(H,19,20).
What are the key properties of 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide?
5-(4-bromophenyl)-N-phenylfuran-2-carboxamide has a molecular weight of 342.19 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-phenylfuran-2-carboxamide is sourced from PubChem (CID 2904011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).