2,5-dichloro-N-[2-(methylamino)ethyl]benzamide

C10H12Cl2N2O — CID 62659102

IUPAC2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeySTGAIRGXYVRQSX-UHFFFAOYSA-N
MW247.12 g/mol
LogP1.94
Rot. Bonds4

About 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide

2,5-dichloro-N-[2-(methylamino)ethyl]benzamide (PubChem CID 62659102) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
PubChem CID62659102
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC Name2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChIKeySTGAIRGXYVRQSX-UHFFFAOYSA-N
XLogP1.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dichloro-N-[2-(methylamino)ethyl]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-chloro-2-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500505
2,5-dichloro-N-[2-(dimethylcarbamoylamino)ethyl]benzamide
CID 108573425
5-bromo-2-chloro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503330
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
5-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide
CID 55101050
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
ethyl N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 108573417
2-chloro-N-[2-(methylamino)ethyl]-5-(2-methylpropanoylamino)benzamide
CID 119504443
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
4-chloro-N-[2-(methylamino)ethyl]-2-nitrobenzamide;hydrochloride
CID 119500583
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide (CID 62659102) is 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide is CNCCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is STGAIRGXYVRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-13-4-5-14-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide?
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 247.12 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 62659102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).