N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride

C16H18Cl2N2O2 — CID 2990456

IUPACN-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H17ClN2O2.ClH/c1-19(2)11-16(20)18-13-5-9-15(10-6-13)21-14-7-3-12(17)4-8-14;/h3-10H,11H2,1-2H3,(H,18,20);1H
InChIKeyQGTJUTOWBPMGKC-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.05
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride

N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride (PubChem CID 2990456) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride
PubChem CID2990456
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride
SMILESCN(C)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.Cl
InChIInChI=1S/C16H17ClN2O2.ClH/c1-19(2)11-16(20)18-13-5-9-15(10-6-13)21-14-7-3-12(17)4-8-14;/h3-10H,11H2,1-2H3,(H,18,20);1H
InChIKeyQGTJUTOWBPMGKC-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride (CID 2990456) is N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride is CN(C)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.Cl.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride?
The InChIKey is QGTJUTOWBPMGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2.ClH/c1-19(2)11-16(20)18-13-5-9-15(10-6-13)21-14-7-3-12(17)4-8-14;/h3-10H,11H2,1-2H3,(H,18,20);1H.
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride?
N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride has a molecular weight of 341.24 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-2-(dimethylamino)acetamide;hydrochloride is sourced from PubChem (CID 2990456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).