N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

C13H18Cl4N2O2 — CID 120653226

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H17Cl3N2O2.ClH/c1-3-17-8(2)6-18-13(19)7-20-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19);1H/t8-;/m1./s1
InChIKeyCDUWWVUJRZAEJO-DDWIOCJRSA-N
MW376.11 g/mol
LogP3.56
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (PubChem CID 120653226) has the molecular formula C13H18Cl4N2O2 and a molecular weight of 376.11 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
PubChem CID120653226
Molecular FormulaC13H18Cl4N2O2
Molecular Weight376.11 g/mol
Exact Mass374.01
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C13H17Cl3N2O2.ClH/c1-3-17-8(2)6-18-13(19)7-20-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19);1H/t8-;/m1./s1
InChIKeyCDUWWVUJRZAEJO-DDWIOCJRSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.11
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 83030457
2-(4-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653266
(2S)-2-hydroxy-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 107833784
N-(2,3-dihydroxypropyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 66176024
2-(3-chloro-4-fluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120653969
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
N-[(2S)-1-aminopropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
CID 120509155
N-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
N-(2-acetamidoethyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 2454817
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
(2R)-2-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 54991090
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (CID 120653226) is N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is CCN[C@H](C)CNC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The InChIKey is CDUWWVUJRZAEJO-DDWIOCJRSA-N. The full InChI is InChI=1S/C13H17Cl3N2O2.ClH/c1-3-17-8(2)6-18-13(19)7-20-12-5-10(15)9(14)4-11(12)16;/h4-5,8,17H,3,6-7H2,1-2H3,(H,18,19);1H/t8-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride has a molecular weight of 376.11 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120653226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).