(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C17H13Cl3FNO2 — CID 121134492

IUPAC(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl3FNO2/c18-11-6-10(7-12(19)8-11)15-9-22(4-5-24-15)17(23)16-13(20)2-1-3-14(16)21/h1-3,6-8,15H,4-5,9H2
InChIKeyJNNRTWZEXKYYNI-UHFFFAOYSA-N
MW388.65 g/mol
LogP5.00
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 121134492) has the molecular formula C17H13Cl3FNO2 and a molecular weight of 388.65 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID121134492
Molecular FormulaC17H13Cl3FNO2
Molecular Weight388.65 g/mol
Exact Mass387.00
IUPAC Name(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl3FNO2/c18-11-6-10(7-12(19)8-11)15-9-22(4-5-24-15)17(23)16-13(20)2-1-3-14(16)21/h1-3,6-8,15H,4-5,9H2
InChIKeyJNNRTWZEXKYYNI-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.65
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
1-[(2S)-2-(3,5-dichlorophenyl)morpholin-4-yl]-2-(2-fluorophenoxy)ethanone
CID 97106593
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
CID 121134485
2-chloro-6-fluoro-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]benzamide
CID 16894866
4-[4-[2-(difluoromethyl)-6-fluorobenzoyl]morpholin-2-yl]benzonitrile
CID 166376970
[3-(bromomethyl)pyrrolidin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 80667434

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 121134492) is (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(c1c(F)cccc1Cl)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is JNNRTWZEXKYYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3FNO2/c18-11-6-10(7-12(19)8-11)15-9-22(4-5-24-15)17(23)16-13(20)2-1-3-14(16)21/h1-3,6-8,15H,4-5,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 388.65 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).