3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide

C14H19ClN2O2 — CID 79082923

IUPAC3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cccc(CCl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-5-6-19-13(10-17)9-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18)
InChIKeyADSWQXDLQKYEBT-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.49
Rot. Bonds4

About 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide

3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 79082923) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID79082923
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cccc(CCl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-17-5-6-19-13(10-17)9-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18)
InChIKeyADSWQXDLQKYEBT-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
N-[3-[[(2R)-4-methylmorpholin-2-yl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 94816221
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 79082923) is 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CNC(=O)c2cccc(CCl)c2)C1.
What is the InChIKey of 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is ADSWQXDLQKYEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-17-5-6-19-13(10-17)9-16-14(18)12-4-2-3-11(7-12)8-15/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,18).
What are the key properties of 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 79082923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).