[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone

C12H12Cl3NO2 — CID 81210817

IUPAC[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H12Cl3NO2/c13-6-9-7-16(3-4-18-9)12(17)10-5-8(14)1-2-11(10)15/h1-2,5,9H,3-4,6-7H2
InChIKeyFWSYHJMTHLYZHS-UHFFFAOYSA-N
MW308.59 g/mol
LogP3.07
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone (PubChem CID 81210817) has the molecular formula C12H12Cl3NO2 and a molecular weight of 308.59 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
PubChem CID81210817
Molecular FormulaC12H12Cl3NO2
Molecular Weight308.59 g/mol
Exact Mass306.99
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCOC(CCl)C1
InChIInChI=1S/C12H12Cl3NO2/c13-6-9-7-16(3-4-18-9)12(17)10-5-8(14)1-2-11(10)15/h1-2,5,9H,3-4,6-7H2
InChIKeyFWSYHJMTHLYZHS-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.59
LogP ≤ 53.07
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-5-hydroxyphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 106503111
(4-bromo-2-chlorophenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81209438
[2-[(5-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-(2,5-dichlorophenyl)methanone
CID 3737698
(5-chloro-2-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 60733638
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
(5-amino-2-chlorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562207
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
(2-chloro-5-nitrophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203359
[5-chloro-2-(ethylamino)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62169229

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone (CID 81210817) is [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
The InChIKey is FWSYHJMTHLYZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3NO2/c13-6-9-7-16(3-4-18-9)12(17)10-5-8(14)1-2-11(10)15/h1-2,5,9H,3-4,6-7H2.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone has a molecular weight of 308.59 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 81210817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).