(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

C18H17ClFNO2 — CID 24724704

IUPAC(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H17ClFNO2/c19-16-9-15(10-17(20)11-16)18(22)14-3-1-2-13(8-14)12-21-4-6-23-7-5-21/h1-3,8-11H,4-7,12H2
InChIKeyXZCIVVFHOXTLGR-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.54
Rot. Bonds4

About (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone (PubChem CID 24724704) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
PubChem CID24724704
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name(3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
SMILESO=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C18H17ClFNO2/c19-16-9-15(10-17(20)11-16)18(22)14-3-1-2-13(8-14)12-21-4-6-23-7-5-21/h1-3,8-11H,4-7,12H2
InChIKeyXZCIVVFHOXTLGR-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

(3-chloro-5-fluorophenyl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24724818
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
(2-chloro-4-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724703
(3-chlorophenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724741
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
2-[3-(morpholin-4-ylmethyl)benzoyl]benzonitrile
CID 24724674
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 18728366
[3-(azetidin-1-ylmethyl)phenyl]-phenylmethanone
CID 24724838
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 24694925

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone (CID 24724704) is (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone is O=C(c1cc(F)cc(Cl)c1)c1cccc(CN2CCOCC2)c1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
The InChIKey is XZCIVVFHOXTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c19-16-9-15(10-17(20)11-16)18(22)14-3-1-2-13(8-14)12-21-4-6-23-7-5-21/h1-3,8-11H,4-7,12H2.
What are the key properties of (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone?
(3-chloro-5-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 (3-chloro-5-fluorophenyl)-[3-(morpholin-4-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24724704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).