4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one

C17H14BrNO2 — CID 56642522

IUPAC4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1
InChIInChI=1S/C17H14BrNO2/c1-11-2-8-14(9-3-11)19-15-10-21-17(20)16(15)12-4-6-13(18)7-5-12/h2-9,19H,10H2,1H3
InChIKeyUGCUAWYDXLNPQE-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.14
Rot. Bonds3

About 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one

4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one (PubChem CID 56642522) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one
PubChem CID56642522
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one
SMILESCc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1
InChIInChI=1S/C17H14BrNO2/c1-11-2-8-14(9-3-11)19-15-10-21-17(20)16(15)12-4-6-13(18)7-5-12/h2-9,19H,10H2,1H3
InChIKeyUGCUAWYDXLNPQE-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one (CID 56642522) is 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one is Cc1ccc(NC2=C(c3ccc(Br)cc3)C(=O)OC2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one?
The InChIKey is UGCUAWYDXLNPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11-2-8-14(9-3-11)19-15-10-21-17(20)16(15)12-4-6-13(18)7-5-12/h2-9,19H,10H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one?
4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one has a molecular weight of 344.21 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(4-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 56642522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).