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

C17H21Cl2FN2O3 — CID 120792454

IUPAC2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1
InChIInChI=1S/C17H21Cl2FN2O3/c18-12-8-13(19)14(20)7-11(12)15-9-22(3-6-25-15)17(23)16(21)10-1-4-24-5-2-10/h7-8,10,15-16H,1-6,9,21H2
InChIKeyYZWRQJSQDDKOKF-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.79
Rot. Bonds3

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

2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120792454) has the molecular formula C17H21Cl2FN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
PubChem CID120792454
Molecular FormulaC17H21Cl2FN2O3
Molecular Weight391.27 g/mol
Exact Mass390.09
IUPAC Name2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1
InChIInChI=1S/C17H21Cl2FN2O3/c18-12-8-13(19)14(20)7-11(12)15-9-22(3-6-25-15)17(23)16(21)10-1-4-24-5-2-10/h7-8,10,15-16H,1-6,9,21H2
InChIKeyYZWRQJSQDDKOKF-UHFFFAOYSA-N
XLogP2.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421
(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-(methylamino)ethanone;hydrochloride
CID 119777407
2-(4-aminophenyl)-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanone
CID 119777400
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-[(2R,3S)-2-methylmorpholin-3-yl]methanone
CID 120931507
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119777428
2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120790448
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777417

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone (CID 120792454) is 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCOC(c2cc(F)c(Cl)cc2Cl)C1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is YZWRQJSQDDKOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2FN2O3/c18-12-8-13(19)14(20)7-11(12)15-9-22(3-6-25-15)17(23)16(21)10-1-4-24-5-2-10/h7-8,10,15-16H,1-6,9,21H2.
What are the key properties of 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 391.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120792454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).