3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C16H23ClN2O2 — CID 61251148

IUPAC3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCl)c1)N1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,19-6-8-21-9-7-19)12-18-15(20)14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyVJBFSSHACBJQHF-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.27
Rot. Bonds5

About 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 61251148) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID61251148
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCl)c1)N1CCOCC1
InChIInChI=1S/C16H23ClN2O2/c1-16(2,19-6-8-21-9-7-19)12-18-15(20)14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20)
InChIKeyVJBFSSHACBJQHF-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.27
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

N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 47019703
3-[[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 111313384
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
N-(2-methyl-2-morpholin-4-ylpropyl)-3-[4-[[2-(3-methylphenyl)acetyl]amino]pyrazol-1-yl]benzamide
CID 26316659
3-bromo-5-fluoro-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 46470982
3-(3-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78771852
2-(4-benzylpiperazin-1-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 46491153
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30841499
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 51219508

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 61251148) is 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(CCl)c1)N1CCOCC1.
What is the InChIKey of 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is VJBFSSHACBJQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-16(2,19-6-8-21-9-7-19)12-18-15(20)14-5-3-4-13(10-14)11-17/h3-5,10H,6-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 310.83 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 61251148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).