5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide

C17H15BrN2O3 — CID 157010798

IUPAC5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide
SMILESCc1ccc(C(CC(=O)c2ccc(Br)cc2)C(C#N)C(N)=O)o1
InChIInChI=1S/C17H15BrN2O3/c1-10-2-7-16(23-10)13(14(9-19)17(20)22)8-15(21)11-3-5-12(18)6-4-11/h2-7,13-14H,8H2,1H3,(H2,20,22)
InChIKeyBFTDBGGSWVTLRL-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.33
Rot. Bonds6

About 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide

5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide (PubChem CID 157010798) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide
PubChem CID157010798
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide
SMILESCc1ccc(C(CC(=O)c2ccc(Br)cc2)C(C#N)C(N)=O)o1
InChIInChI=1S/C17H15BrN2O3/c1-10-2-7-16(23-10)13(14(9-19)17(20)22)8-15(21)11-3-5-12(18)6-4-11/h2-7,13-14H,8H2,1H3,(H2,20,22)
InChIKeyBFTDBGGSWVTLRL-UHFFFAOYSA-N
XLogP3.33
TPSA97.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide?
The IUPAC name of 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide (CID 157010798) is 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide?
The canonical SMILES for 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide is Cc1ccc(C(CC(=O)c2ccc(Br)cc2)C(C#N)C(N)=O)o1.
What is the InChIKey of 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide?
The InChIKey is BFTDBGGSWVTLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-10-2-7-16(23-10)13(14(9-19)17(20)22)8-15(21)11-3-5-12(18)6-4-11/h2-7,13-14H,8H2,1H3,(H2,20,22).
What are the key properties of 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide?
5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide has a molecular weight of 375.22 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)-5-oxopentanamide is sourced from PubChem (CID 157010798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).