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

C12H16Cl2N2O — CID 62669661

IUPAC3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)9-3-4-10(13)11(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyAIRNXPAATGBXHG-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.77
Rot. Bonds4

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

3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide (PubChem CID 62669661) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
PubChem CID62669661
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide
SMILESCC(CN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)9-3-4-10(13)11(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17)
InChIKeyAIRNXPAATGBXHG-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-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

4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80543571
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
3-amino-4-[1-(3,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 64896143
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
3-amino-2-methyl-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81409558
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249265
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
2-(2-aminoethoxy)-N-[1-(3,4-dichlorophenyl)ethyl]acetamide
CID 79473884
N-[1-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62490766

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide (CID 62669661) is 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide is CC(CN)C(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide?
The InChIKey is AIRNXPAATGBXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(6-15)12(17)16-8(2)9-3-4-10(13)11(14)5-9/h3-5,7-8H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide?
3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide has a molecular weight of 275.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 62669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).