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

C11H15Cl3N2O — CID 119263877

IUPAC2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-7(14)11(16)15-5-4-8-2-3-9(12)6-10(8)13;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyPSGXLRAIFFQKGY-UHFFFAOYSA-N
MW297.61 g/mol
LogP2.42
Rot. Bonds4

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

2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride (PubChem CID 119263877) has the molecular formula C11H15Cl3N2O and a molecular weight of 297.61 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
PubChem CID119263877
Molecular FormulaC11H15Cl3N2O
Molecular Weight297.61 g/mol
Exact Mass296.02
IUPAC Name2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C11H14Cl2N2O.ClH/c1-7(14)11(16)15-5-4-8-2-3-9(12)6-10(8)13;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H
InChIKeyPSGXLRAIFFQKGY-UHFFFAOYSA-N
XLogP2.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.61
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride
CID 119263879
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]pentanamide;hydrochloride
CID 119263881
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]butanediamide
CID 60847585
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
2-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 43095602
2-[2-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61183611
4-amino-5-[2-(2,4-dichlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64895020
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutanamide
CID 55080863
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-4-methylpentanamide
CID 82017216
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride (CID 119263877) is 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride is CC(N)C(=O)NCCc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride?
The InChIKey is PSGXLRAIFFQKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O.ClH/c1-7(14)11(16)15-5-4-8-2-3-9(12)6-10(8)13;/h2-3,6-7H,4-5,14H2,1H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride?
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]propanamide;hydrochloride has a molecular weight of 297.61 g/mol, XLogP of 2.42, 4 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]propanamide;hydrochloride is sourced from PubChem (CID 119263877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).