N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

C14H19Cl3N2O2 — CID 119674688

IUPACN-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-4-3-10(13(16)6-11)7-18-14(19)9-17-8-12-2-1-5-20-12;/h3-4,6,12,17H,1-2,5,7-9H2,(H,18,19);1H
InChIKeyLWGNYQZHUDGKKQ-UHFFFAOYSA-N
MW353.68 g/mol
LogP2.80
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride

N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (PubChem CID 119674688) has the molecular formula C14H19Cl3N2O2 and a molecular weight of 353.68 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
PubChem CID119674688
Molecular FormulaC14H19Cl3N2O2
Molecular Weight353.68 g/mol
Exact Mass352.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H18Cl2N2O2.ClH/c15-11-4-3-10(13(16)6-11)7-18-14(19)9-17-8-12-2-1-5-20-12;/h3-4,6,12,17H,1-2,5,7-9H2,(H,18,19);1H
InChIKeyLWGNYQZHUDGKKQ-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.68
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 108994371
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
N-[(4-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119677338
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethylamino)acetamide;dihydrochloride
CID 119834742
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119858088
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 133200042

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride (CID 119674688) is N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is Cl.O=C(CNCC1CCCO1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
The InChIKey is LWGNYQZHUDGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2.ClH/c15-11-4-3-10(13(16)6-11)7-18-14(19)9-17-8-12-2-1-5-20-12;/h3-4,6,12,17H,1-2,5,7-9H2,(H,18,19);1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride?
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride has a molecular weight of 353.68 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119674688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).