N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide

C10H12Cl2N2O — CID 62686423

IUPACN-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14(5-4-13)10(15)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,13H2,1H3
InChIKeyQUQXGDNGZRMFBF-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.02
Rot. Bonds3

About N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide

N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide (PubChem CID 62686423) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
PubChem CID62686423
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-14(5-4-13)10(15)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,13H2,1H3
InChIKeyQUQXGDNGZRMFBF-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide 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

2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 62686238
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
N-(5-bromopentyl)-2,4-dichloro-N-methylbenzamide
CID 107206177
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-methylbenzamide
CID 114242843
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021
2-amino-4-chloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 43345854
2,4-dichloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18279065
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2,4-dichloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19581466
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114951274

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide (CID 62686423) is N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide is CN(CCN)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide?
The InChIKey is QUQXGDNGZRMFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-14(5-4-13)10(15)8-3-2-7(11)6-9(8)12/h2-3,6H,4-5,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide?
N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide has a molecular weight of 247.12 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 62686423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).