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

C14H20Cl2N2O — CID 103778315

IUPAC3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-8-18-13(19)7-9-17-10(2)11-5-4-6-12(15)14(11)16/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyAIQYTTOGNHMGGD-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.56
Rot. Bonds7

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

3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide (PubChem CID 103778315) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
PubChem CID103778315
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(C)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-8-18-13(19)7-9-17-10(2)11-5-4-6-12(15)14(11)16/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyAIQYTTOGNHMGGD-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
3-[1-(2,3-dichlorophenyl)ethylamino]-N,N-dimethylpropanamide
CID 103780154
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(propylcarbamoyl)acetamide
CID 9306320
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
N-tert-butyl-3-[1-(2-chlorophenyl)ethylamino]propanamide
CID 112688495
N-[1-(2,3-dichlorophenyl)ethyl]-4-methylpentan-1-amine
CID 114079561
N'-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-N-propylbutanediamide
CID 71874340
N-[1-(2,3-dichlorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 113259673
N-(3-aminopropyl)-3-(2,3-dichlorophenyl)butanamide
CID 141089706
ethyl 3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propanoate
CID 81378408
2-(2,3-dichlorophenyl)-2-(propylamino)ethanol
CID 61054379
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide (CID 103778315) is 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)CCNC(C)c1cccc(Cl)c1Cl.
What is the InChIKey of 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide?
The InChIKey is AIQYTTOGNHMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-8-18-13(19)7-9-17-10(2)11-5-4-6-12(15)14(11)16/h4-6,10,17H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide?
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 103778315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).