N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride

C17H20Cl2N2O — CID 155821876

IUPACN-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNCCc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-13(21)20-17-7-5-15(6-8-17)12-19-10-9-14-3-2-4-16(18)11-14;/h2-8,11,19H,9-10,12H2,1H3,(H,20,21);1H
InChIKeyPSLLXQVOGNMAAM-UHFFFAOYSA-N
MW339.27 g/mol
LogP4.05
Rot. Bonds6

About N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride

N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride (PubChem CID 155821876) has the molecular formula C17H20Cl2N2O and a molecular weight of 339.27 g/mol. Its IUPAC name is N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
PubChem CID155821876
Molecular FormulaC17H20Cl2N2O
Molecular Weight339.27 g/mol
Exact Mass338.10
IUPAC NameN-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNCCc2cccc(Cl)c2)cc1.Cl
InChIInChI=1S/C17H19ClN2O.ClH/c1-13(21)20-17-7-5-15(6-8-17)12-19-10-9-14-3-2-4-16(18)11-14;/h2-8,11,19H,9-10,12H2,1H3,(H,20,21);1H
InChIKeyPSLLXQVOGNMAAM-UHFFFAOYSA-N
XLogP4.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)ethyl]propanediamide
CID 108952578
2-[2-(3-chlorophenyl)ethylamino]-N-(3,4-dimethylphenyl)acetamide
CID 109006709
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
methyl 4-[[2-[2-(3-chlorophenyl)ethylamino]acetyl]amino]benzoate
CID 59991850
N-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958390
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 45226939
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride (CID 155821876) is N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CNCCc2cccc(Cl)c2)cc1.Cl.
What is the InChIKey of N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride?
The InChIKey is PSLLXQVOGNMAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O.ClH/c1-13(21)20-17-7-5-15(6-8-17)12-19-10-9-14-3-2-4-16(18)11-14;/h2-8,11,19H,9-10,12H2,1H3,(H,20,21);1H.
What are the key properties of N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride?
N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride has a molecular weight of 339.27 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-chlorophenyl)ethylamino]methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 155821876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).