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

C13H17ClN2O2 — CID 49094780

IUPAC4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyCJLUZMTWORQSOK-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.40
Rot. Bonds3

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

4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (PubChem CID 49094780) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
PubChem CID49094780
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H17ClN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyCJLUZMTWORQSOK-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-bromo-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094765
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]pyridazine-3-carboxamide
CID 79083051
6-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]pyridine-3-carboxamide
CID 49093596
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
4-(1H-benzimidazol-2-yl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]benzamide
CID 126452002
5-[(4-methylmorpholin-2-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 113432368

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide (CID 49094780) is 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is CN1CCOC(CNC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
The InChIKey is CJLUZMTWORQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16-6-7-18-12(9-16)8-15-13(17)10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide?
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 49094780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).