2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride

C22H23ClN2O2 — CID 2962532

IUPAC2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H22N2O2.ClH/c25-22(24-20-12-5-2-6-13-20)17-26-21-14-8-7-11-19(21)16-23-15-18-9-3-1-4-10-18;/h1-14,23H,15-17H2,(H,24,25);1H
InChIKeyZRJRMPHNZNOIJB-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.42
Rot. Bonds8

About 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride

2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride (PubChem CID 2962532) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride
PubChem CID2962532
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H22N2O2.ClH/c25-22(24-20-12-5-2-6-13-20)17-26-21-14-8-7-11-19(21)16-23-15-18-9-3-1-4-10-18;/h1-14,23H,15-17H2,(H,24,25);1H
InChIKeyZRJRMPHNZNOIJB-UHFFFAOYSA-N
XLogP4.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride?
The IUPAC name of 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride (CID 2962532) is 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride.
What is the SMILES notation for 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride?
The canonical SMILES for 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride is Cl.O=C(COc1ccccc1CNCc1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride?
The InChIKey is ZRJRMPHNZNOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c25-22(24-20-12-5-2-6-13-20)17-26-21-14-8-7-11-19(21)16-23-15-18-9-3-1-4-10-18;/h1-14,23H,15-17H2,(H,24,25);1H.
What are the key properties of 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride?
2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(benzylamino)methyl]phenoxy]-N-phenylacetamide;hydrochloride is sourced from PubChem (CID 2962532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).