4-[(3-chloropropyl)[(6-chloropyridin-3-yl)methyl]amino]furan-2(5H)-one

HCID 57779805
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Basic information

Standard SMILES
O=C1C=C(N(CCCCl)Cc2ccc(Cl)nc2)CO1
InChIKey
ZULXOOHZMFZVRV-UHFFFAOYSA-N
Molecular formula
C13H14Cl2N2O2
Average molar mass
301.16 g/mol
Monoisotopic mass
300.0432331

Names & identifiers

Preferred name
4-[(3-chloropropyl)[(6-chloropyridin-3-yl)methyl]amino]furan-2(5H)-one
IUPAC
3-[3-chloropropyl-[(6-chloro-3-pyridinyl)methyl]amino]-2H-furan-5-one

Names & synonyms

SCHEMBL1800501ZULXOOHZMFZVRV-UHFFFAOYSA-N4-[(3-chloropropyl)[(6-chloropyridin-3-yl)methyl]amino]furan-2(5H)-one

Database identifiers

PubChem CID
57779805

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
42.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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