2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

C14H20ClN2O2+ — CID 7286130

IUPAC2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)/p+1
InChIKeyVXLOCUJBFKOMFC-UHFFFAOYSA-O
MW283.78 g/mol
LogP0.29
Rot. Bonds4

About 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide

2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (PubChem CID 7286130) has the molecular formula C14H20ClN2O2+ and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
PubChem CID7286130
Molecular FormulaC14H20ClN2O2+
Molecular Weight283.78 g/mol
Exact Mass283.12
IUPAC Name2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)/p+1
InChIKeyVXLOCUJBFKOMFC-UHFFFAOYSA-O
XLogP0.29
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)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

2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
5-(4-methylphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 6965930
3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 6919317
2-chloro-4-methyl-N-pentylbenzamide
CID 99835956
2-chloro-N-(3-cyanopropyl)-4-methylbenzamide
CID 103581973
2-(2,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 2634680
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide
CID 2105530
N-(6-bromohexyl)-2-chloro-4-methylbenzamide
CID 107847912
2-chloro-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 103581958
7-[(2-chloro-4-methylbenzoyl)amino]heptanoic acid
CID 106860475
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
4-[(4-methylphenyl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7379251

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide (CID 7286130) is 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is Cc1ccc(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
The InChIKey is VXLOCUJBFKOMFC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19ClN2O2/c1-11-2-3-12(13(15)10-11)14(18)16-4-5-17-6-8-19-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)/p+1.
What are the key properties of 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide?
2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide has a molecular weight of 283.78 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide is sourced from PubChem (CID 7286130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).