(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

C18H17ClFNO2 — CID 110369215

IUPAC(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17ClFNO2/c1-12-10-21(18(22)14-2-6-15(19)7-3-14)11-17(23-12)13-4-8-16(20)9-5-13/h2-9,12,17H,10-11H2,1H3
InChIKeyWSIDQZGOFMXWLL-UHFFFAOYSA-N
MW333.79 g/mol
LogP4.08
Rot. Bonds2

About (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone

(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (PubChem CID 110369215) has the molecular formula C18H17ClFNO2 and a molecular weight of 333.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
PubChem CID110369215
Molecular FormulaC18H17ClFNO2
Molecular Weight333.79 g/mol
Exact Mass333.09
IUPAC Name(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
SMILESCC1CN(C(=O)c2ccc(Cl)cc2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17ClFNO2/c1-12-10-21(18(22)14-2-6-15(19)7-3-14)11-17(23-12)13-4-8-16(20)9-5-13/h2-9,12,17H,10-11H2,1H3
InChIKeyWSIDQZGOFMXWLL-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369220
1,3-benzodioxol-5-yl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369219
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
2-[2-(4-fluorophenyl)-6-methylmorpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055790
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
(5-amino-2-methylphenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635302
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
CID 124626418
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635304

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone (CID 110369215) is (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is CC1CN(C(=O)c2ccc(Cl)cc2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
The InChIKey is WSIDQZGOFMXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO2/c1-12-10-21(18(22)14-2-6-15(19)7-3-14)11-17(23-12)13-4-8-16(20)9-5-13/h2-9,12,17H,10-11H2,1H3.
What are the key properties of (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone?
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone has a molecular weight of 333.79 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 110369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).