3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide

C13H18Cl2N2O — CID 81484637

IUPAC3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,8-16)12(18)17-6-5-9-3-4-10(14)7-11(9)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyICYOBCDPEJRTPZ-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide

3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 81484637) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID81484637
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N2O/c1-13(2,8-16)12(18)17-6-5-9-3-4-10(14)7-11(9)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18)
InChIKeyICYOBCDPEJRTPZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide 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

3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,3,3-tetrafluoropropanamide
CID 103731937
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263877
3-[2-(2,4-dichlorophenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79629031
3-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172630
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
2-cyano-N-[2-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 68726093
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide (CID 81484637) is 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide is CC(C)(CN)C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is ICYOBCDPEJRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(2,8-16)12(18)17-6-5-9-3-4-10(14)7-11(9)15/h3-4,7H,5-6,8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide?
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 81484637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).