4-(4-bromoanilino)-6-phenylpyran-2-one

C17H12BrNO2 — CID 54586002

IUPAC4-(4-bromoanilino)-6-phenylpyran-2-one
SMILESO=c1cc(Nc2ccc(Br)cc2)cc(-c2ccccc2)o1
InChIInChI=1S/C17H12BrNO2/c18-13-6-8-14(9-7-13)19-15-10-16(21-17(20)11-15)12-4-2-1-3-5-12/h1-11,19H
InChIKeyPDDBYWYTLZYRTH-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.81
Rot. Bonds3

About 4-(4-bromoanilino)-6-phenylpyran-2-one

4-(4-bromoanilino)-6-phenylpyran-2-one (PubChem CID 54586002) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 4-(4-bromoanilino)-6-phenylpyran-2-one.

Molecular Properties

Compound Name4-(4-bromoanilino)-6-phenylpyran-2-one
PubChem CID54586002
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name4-(4-bromoanilino)-6-phenylpyran-2-one
SMILESO=c1cc(Nc2ccc(Br)cc2)cc(-c2ccccc2)o1
InChIInChI=1S/C17H12BrNO2/c18-13-6-8-14(9-7-13)19-15-10-16(21-17(20)11-15)12-4-2-1-3-5-12/h1-11,19H
InChIKeyPDDBYWYTLZYRTH-UHFFFAOYSA-N
XLogP4.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromoanilino)-6-phenylpyran-2-one?
The IUPAC name of 4-(4-bromoanilino)-6-phenylpyran-2-one (CID 54586002) is 4-(4-bromoanilino)-6-phenylpyran-2-one.
What is the SMILES notation for 4-(4-bromoanilino)-6-phenylpyran-2-one?
The canonical SMILES for 4-(4-bromoanilino)-6-phenylpyran-2-one is O=c1cc(Nc2ccc(Br)cc2)cc(-c2ccccc2)o1.
What is the InChIKey of 4-(4-bromoanilino)-6-phenylpyran-2-one?
The InChIKey is PDDBYWYTLZYRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-13-6-8-14(9-7-13)19-15-10-16(21-17(20)11-15)12-4-2-1-3-5-12/h1-11,19H.
What are the key properties of 4-(4-bromoanilino)-6-phenylpyran-2-one?
4-(4-bromoanilino)-6-phenylpyran-2-one has a molecular weight of 342.19 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromoanilino)-6-phenylpyran-2-one is sourced from PubChem (CID 54586002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).