2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride

C13H19Cl3N2O — CID 119263881

IUPAC2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-2-3-12(16)13(18)17-7-6-9-4-5-10(14)8-11(9)15;/h4-5,8,12H,2-3,6-7,16H2,1H3,(H,17,18);1H
InChIKeyMDLVHXJSZIHBDL-UHFFFAOYSA-N
MW325.67 g/mol
LogP3.20
Rot. Bonds6

About 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride (PubChem CID 119263881) has the molecular formula C13H19Cl3N2O and a molecular weight of 325.67 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
PubChem CID119263881
Molecular FormulaC13H19Cl3N2O
Molecular Weight325.67 g/mol
Exact Mass324.06
IUPAC Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O.ClH/c1-2-3-12(16)13(18)17-7-6-9-4-5-10(14)8-11(9)15;/h4-5,8,12H,2-3,6-7,16H2,1H3,(H,17,18);1H
InChIKeyMDLVHXJSZIHBDL-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.67
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
(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
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648
2-amino-N-[(4-bromo-2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 119306106
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride (CID 119263881) is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride?
The InChIKey is MDLVHXJSZIHBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O.ClH/c1-2-3-12(16)13(18)17-7-6-9-4-5-10(14)8-11(9)15;/h4-5,8,12H,2-3,6-7,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride?
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride has a molecular weight of 325.67 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119263881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).