2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone

C18H17Cl2FN2O2 — CID 119777400

IUPAC2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
SMILESNc1ccc(CC(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C18H17Cl2FN2O2/c19-14-9-15(20)16(21)8-13(14)17-10-23(5-6-25-17)18(24)7-11-1-3-12(22)4-2-11/h1-4,8-9,17H,5-7,10,22H2
InChIKeyKXGZINSMFHSUES-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.86
Rot. Bonds3

About 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone

2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 119777400) has the molecular formula C18H17Cl2FN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID119777400
Molecular FormulaC18H17Cl2FN2O2
Molecular Weight383.25 g/mol
Exact Mass382.07
IUPAC Name2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
SMILESNc1ccc(CC(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C18H17Cl2FN2O2/c19-14-9-15(20)16(21)8-13(14)17-10-23(5-6-25-17)18(24)7-11-1-3-12(22)4-2-11/h1-4,8-9,17H,5-7,10,22H2
InChIKeyKXGZINSMFHSUES-UHFFFAOYSA-N
XLogP3.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110609346
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
CID 120792454
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)ethanone
CID 43562198
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone (CID 119777400) is 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone is Nc1ccc(CC(=O)N2CCOC(c3cc(F)c(Cl)cc3Cl)C2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is KXGZINSMFHSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O2/c19-14-9-15(20)16(21)8-13(14)17-10-23(5-6-25-17)18(24)7-11-1-3-12(22)4-2-11/h1-4,8-9,17H,5-7,10,22H2.
What are the key properties of 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone?
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 383.25 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 119777400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).