[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone

C13H14BrCl2NO2 — CID 102937906

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC(CBr)O1
InChIInChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-10(5-14)19-8)13(18)9-2-3-11(15)12(16)4-9/h2-4,8,10H,5-7H2,1H3
InChIKeyRZDPVFQVYYWQSA-UHFFFAOYSA-N
MW367.07 g/mol
LogP3.62
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 102937906) has the molecular formula C13H14BrCl2NO2 and a molecular weight of 367.07 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
PubChem CID102937906
Molecular FormulaC13H14BrCl2NO2
Molecular Weight367.07 g/mol
Exact Mass364.96
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone
SMILESCC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC(CBr)O1
InChIInChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-10(5-14)19-8)13(18)9-2-3-11(15)12(16)4-9/h2-4,8,10H,5-7H2,1H3
InChIKeyRZDPVFQVYYWQSA-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 53.62
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

(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729118
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-hydroxyphenyl)methanone
CID 102937683
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107706233
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-chloro-4-methylphenyl)methanone
CID 106864094
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 102937884
(3-bromo-4-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 113354405
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-methoxyphenyl)methanone
CID 102937854

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone (CID 102937906) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone is CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is RZDPVFQVYYWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrCl2NO2/c1-8-6-17(7-10(5-14)19-8)13(18)9-2-3-11(15)12(16)4-9/h2-4,8,10H,5-7H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 367.07 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 102937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).