[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone

C15H13Cl2NO3 — CID 110364303

IUPAC[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H13Cl2NO3/c16-11-4-3-10(8-12(11)17)14-9-18(5-7-21-14)15(19)13-2-1-6-20-13/h1-4,6,8,14H,5,7,9H2
InChIKeySSMXUVSZQOYVAV-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.80
Rot. Bonds2

About [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone

[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone (PubChem CID 110364303) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
PubChem CID110364303
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H13Cl2NO3/c16-11-4-3-10(8-12(11)17)14-9-18(5-7-21-14)15(19)13-2-1-6-20-13/h1-4,6,8,14H,5,7,9H2
InChIKeySSMXUVSZQOYVAV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 95202636
(3-amino-1H-pyrazol-5-yl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95556637
[2-(3,4-dichlorophenyl)morpholin-4-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 56878046
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone (CID 110364303) is [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCOC(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
The InChIKey is SSMXUVSZQOYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-11-4-3-10(8-12(11)17)14-9-18(5-7-21-14)15(19)13-2-1-6-20-13/h1-4,6,8,14H,5,7,9H2.
What are the key properties of [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone?
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone has a molecular weight of 326.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110364303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).