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

C14H20Cl2N2O — CID 43226780

IUPAC2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyZACCSMSLYUEFJW-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.56
Rot. Bonds6

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

2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide (PubChem CID 43226780) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
PubChem CID43226780
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19)
InChIKeyZACCSMSLYUEFJW-UHFFFAOYSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
N-tert-butyl-2-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 115573948
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
CID 113382018
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
(2R)-2-[[(1S)-1-(3,4-dichlorophenyl)ethyl]amino]propan-1-ol
CID 93082510
(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]propanamide
CID 30804766
N-[1-(3,4-dichlorophenyl)ethyl]-3-methylpentan-2-amine
CID 43102306
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide (CID 43226780) is 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide?
The InChIKey is ZACCSMSLYUEFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-4-7-17-14(19)10(3)18-9(2)11-5-6-12(15)13(16)8-11/h5-6,8-10,18H,4,7H2,1-3H3,(H,17,19).
What are the key properties of 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide?
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide has a molecular weight of 303.23 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 43226780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).