2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone

C13H15Cl2NO2 — CID 106818467

IUPAC2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
SMILESCc1ccc(C(Cl)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9-2-3-10(8-11(9)14)12(15)13(17)16-4-6-18-7-5-16/h2-3,8,12H,4-7H2,1H3
InChIKeyUBYJSSYPQCOCPM-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.79
Rot. Bonds2

About 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone

2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone (PubChem CID 106818467) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
PubChem CID106818467
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
SMILESCc1ccc(C(Cl)C(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-9-2-3-10(8-11(9)14)12(15)13(17)16-4-6-18-7-5-16/h2-3,8,12H,4-7H2,1H3
InChIKeyUBYJSSYPQCOCPM-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(3,4-dimethylphenyl)-1-pyrrolidin-1-ylethanone
CID 55047866
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
2-chloro-2-(2,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 62226501
2-chloro-1-morpholin-4-yl-2-quinolin-6-ylethanone
CID 63969943
2-chloro-2-(4-fluoro-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 62226493
2-chloro-2-(3-chloro-4-methylphenyl)-N,N-dimethylacetamide
CID 106818464
1-(3-chloro-4-methylphenyl)-3-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
CID 71858414
2-(2-bromo-5-chlorophenyl)-2-chloro-1-morpholin-4-ylethanone
CID 66159358
2-chloro-2-(3-chloro-4-methylphenyl)-N-ethylacetamide
CID 106818458
2-chloro-1-morpholin-4-yl-2-thiophen-2-ylethanone
CID 62225934
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone (CID 106818467) is 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone is Cc1ccc(C(Cl)C(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone?
The InChIKey is UBYJSSYPQCOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-9-2-3-10(8-11(9)14)12(15)13(17)16-4-6-18-7-5-16/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone?
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone has a molecular weight of 288.17 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 106818467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).