[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone

C15H13Cl2NO3 — CID 1084406

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-1-2-12(17)11(9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2
InChIKeyNNRHKJRBSBNBHJ-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.73
Rot. Bonds2

About [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone

[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 1084406) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
PubChem CID1084406
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1
InChIInChI=1S/C15H13Cl2NO3/c16-10-1-2-12(17)11(9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2
InChIKeyNNRHKJRBSBNBHJ-UHFFFAOYSA-N
XLogP3.73
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone (CID 1084406) is [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCOCC1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is NNRHKJRBSBNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-10-1-2-12(17)11(9-10)13-3-4-14(21-13)15(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone?
[5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 326.18 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1084406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).