N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride

C12H17Cl3N2O — CID 119768749

IUPACN-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-8(6-16-11(17)7-15-2)12-9(13)4-3-5-10(12)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyPGQJPAQRJUCPPK-UHFFFAOYSA-N
MW311.64 g/mol
LogP2.85
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride

N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119768749) has the molecular formula C12H17Cl3N2O and a molecular weight of 311.64 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119768749
Molecular FormulaC12H17Cl3N2O
Molecular Weight311.64 g/mol
Exact Mass310.04
IUPAC NameN-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NCC(C)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C12H16Cl2N2O.ClH/c1-8(6-16-11(17)7-15-2)12-9(13)4-3-5-10(12)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H
InChIKeyPGQJPAQRJUCPPK-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.64
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride 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-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
4-amino-N-[2-(2,6-dichlorophenyl)propyl]pentanamide
CID 120562053
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-(2,6-dichlorophenoxy)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120833103

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride (CID 119768749) is N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NCC(C)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is PGQJPAQRJUCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O.ClH/c1-8(6-16-11(17)7-15-2)12-9(13)4-3-5-10(12)14;/h3-5,8,15H,6-7H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride?
N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 311.64 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)propyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119768749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).