4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one

C13H14ClNO2 — CID 53324009

IUPAC4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one
SMILESCCCNC1=C(c2cccc(Cl)c2)C(=O)OC1
InChIInChI=1S/C13H14ClNO2/c1-2-6-15-11-8-17-13(16)12(11)9-4-3-5-10(14)7-9/h3-5,7,15H,2,6,8H2,1H3
InChIKeyRCHQDORNKLNJBH-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.61
Rot. Bonds4

About 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one

4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one (PubChem CID 53324009) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one
PubChem CID53324009
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one
SMILESCCCNC1=C(c2cccc(Cl)c2)C(=O)OC1
InChIInChI=1S/C13H14ClNO2/c1-2-6-15-11-8-17-13(16)12(11)9-4-3-5-10(14)7-9/h3-5,7,15H,2,6,8H2,1H3
InChIKeyRCHQDORNKLNJBH-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one?
The IUPAC name of 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one (CID 53324009) is 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one.
What is the SMILES notation for 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one?
The canonical SMILES for 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one is CCCNC1=C(c2cccc(Cl)c2)C(=O)OC1.
What is the InChIKey of 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one?
The InChIKey is RCHQDORNKLNJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-6-15-11-8-17-13(16)12(11)9-4-3-5-10(14)7-9/h3-5,7,15H,2,6,8H2,1H3.
What are the key properties of 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one?
4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one has a molecular weight of 251.71 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-(propylamino)-2H-furan-5-one is sourced from PubChem (CID 53324009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).