(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

C18H17ClFNO2 — CID 24724703

IUPAC(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCOCC2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO2/c19-17-11-15(20)4-5-16(17)18(22)14-3-1-2-13(10-14)12-21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
InChIKeyLJJXPLCCBPGGBG-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.54
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724703) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724703
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(CN2CCOCC2)c1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFNO2/c19-17-11-15(20)4-5-16(17)18(22)14-3-1-2-13(10-14)12-21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2
InChIKeyLJJXPLCCBPGGBG-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluorophenyl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24725046
(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724704
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(2,4-difluorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725111
(2,4-dichlorophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
CID 24725107
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 166212710
(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 24724703) is (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1cccc(CN2CCOCC2)c1)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is LJJXPLCCBPGGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-17-11-15(20)4-5-16(17)18(22)14-3-1-2-13(10-14)12-21-6-8-23-9-7-21/h1-5,10-11H,6-9,12H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone has a molecular weight of 333.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).