3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide

C12H16Cl2N2O — CID 55025461

IUPAC3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(16-6-5-12(17)15-2)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyALNASZSOHMAZAF-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.78
Rot. Bonds5

About 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide

3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide (PubChem CID 55025461) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
PubChem CID55025461
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide
SMILESCNC(=O)CCNC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-8(16-6-5-12(17)15-2)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17)
InChIKeyALNASZSOHMAZAF-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide 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

ethyl 3-[1-(2,4-dichlorophenyl)ethylamino]propanoate
CID 43242641
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 26602537
1-(2,4-dichlorophenyl)-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 103864785
(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]propan-2-ol
CID 93082094
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
N-cyclopropyl-3-[1-(2,5-dichlorophenyl)ethylamino]propanamide
CID 79394410
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfonylpropan-1-amine
CID 54906241
2-chloro-N-[1-(2,4-dichlorophenyl)ethylcarbamoyl]acetamide
CID 43328744
2-[[1-(2,4-dichlorophenyl)ethylamino]methyl]prop-2-enoic acid
CID 103233973
N-[1-(2,4-dichlorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115720989
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-butan-2-ylpropanamide
CID 82774284

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The IUPAC name of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide (CID 55025461) is 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The canonical SMILES for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide is CNC(=O)CCNC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
The InChIKey is ALNASZSOHMAZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(16-6-5-12(17)15-2)10-4-3-9(13)7-11(10)14/h3-4,7-8,16H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide?
3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dichlorophenyl)ethylamino]-N-methylpropanamide is sourced from PubChem (CID 55025461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).