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

C17H14BrNO2 — CID 56642278

IUPAC4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one
SMILESCN(C1=C(c2ccc(Br)cc2)C(=O)OC1)c1ccccc1
InChIInChI=1S/C17H14BrNO2/c1-19(14-5-3-2-4-6-14)15-11-21-17(20)16(15)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3
InChIKeyREIOEUDXUJDNFV-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.85
Rot. Bonds3

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

4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one (PubChem CID 56642278) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one
PubChem CID56642278
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one
SMILESCN(C1=C(c2ccc(Br)cc2)C(=O)OC1)c1ccccc1
InChIInChI=1S/C17H14BrNO2/c1-19(14-5-3-2-4-6-14)15-11-21-17(20)16(15)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3
InChIKeyREIOEUDXUJDNFV-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one?
The IUPAC name of 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one (CID 56642278) is 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one?
The canonical SMILES for 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one is CN(C1=C(c2ccc(Br)cc2)C(=O)OC1)c1ccccc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one?
The InChIKey is REIOEUDXUJDNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-19(14-5-3-2-4-6-14)15-11-21-17(20)16(15)12-7-9-13(18)10-8-12/h2-10H,11H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one?
4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one has a molecular weight of 344.21 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(N-methylanilino)-2H-furan-5-one is sourced from PubChem (CID 56642278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).