2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

C19H18Cl2FNO3 — CID 42949362

IUPAC2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18Cl2FNO3/c1-12(26-17-7-4-14(20)10-16(17)21)19(24)23-8-9-25-18(11-23)13-2-5-15(22)6-3-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyIVVXSSMRCMNCOF-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.50
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one

2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (PubChem CID 42949362) has the molecular formula C19H18Cl2FNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
PubChem CID42949362
Molecular FormulaC19H18Cl2FNO3
Molecular Weight398.26 g/mol
Exact Mass397.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H18Cl2FNO3/c1-12(26-17-7-4-14(20)10-16(17)21)19(24)23-8-9-25-18(11-23)13-2-5-15(22)6-3-13/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyIVVXSSMRCMNCOF-UHFFFAOYSA-N
XLogP4.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 4252748
2-(2,4-dichlorophenoxy)-1-[4-(4-hydroxyphenyl)piperidin-1-yl]propan-1-one
CID 47018486
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
2-(2,4-dichlorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66262423
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
(2S)-2-(2,4-dichlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25405954
2-(2-chloro-4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111562005
1-(5-chloro-2-methoxyphenyl)-4-[2-(4-fluorophenyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 55563584
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 120659100
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
2-(2,4-dichlorophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 62370957
2-(2,4-dichlorophenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 108743245

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one (CID 42949362) is 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is CC(Oc1ccc(Cl)cc1Cl)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is IVVXSSMRCMNCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO3/c1-12(26-17-7-4-14(20)10-16(17)21)19(24)23-8-9-25-18(11-23)13-2-5-15(22)6-3-13/h2-7,10,12,18H,8-9,11H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one?
2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 398.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 42949362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).