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

C17H18Cl2N2O — CID 122157159

IUPAC3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(CN)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-16(14)19)21-17(22)15(10-20)12-5-3-2-4-6-12/h2-9,11,15H,10,20H2,1H3,(H,21,22)
InChIKeyARUYYMKTPLOQMX-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.91
Rot. Bonds5

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

3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide (PubChem CID 122157159) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
PubChem CID122157159
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(CN)c1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-16(14)19)21-17(22)15(10-20)12-5-3-2-4-6-12/h2-9,11,15H,10,20H2,1H3,(H,21,22)
InChIKeyARUYYMKTPLOQMX-UHFFFAOYSA-N
XLogP3.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylacetamide
CID 104897119
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpropanamide
CID 62669599
3-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81375006
N'-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N-[(1S)-1-phenylethyl]butanediamide
CID 97088982
N'-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-[(1R)-1-phenylethyl]butanediamide
CID 97088981
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylbutanamide
CID 80542202
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 81363517
(3S)-3-amino-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-3-phenylpropanamide
CID 124695441
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897863
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112
[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 7834173

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide (CID 122157159) is 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide is CC(NC(=O)C(CN)c1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide?
The InChIKey is ARUYYMKTPLOQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-11(14-8-7-13(18)9-16(14)19)21-17(22)15(10-20)12-5-3-2-4-6-12/h2-9,11,15H,10,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide?
3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide has a molecular weight of 337.25 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dichlorophenyl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 122157159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).