2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide

C17H19ClN2O3 — CID 4721633

IUPAC2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H19ClN2O3/c1-22-15-8-13(7-14(18)17(15)23-11-16(19)21)10-20-9-12-5-3-2-4-6-12/h2-8,20H,9-11H2,1H3,(H2,19,21)
InChIKeyKEDCYJDGYHCTFC-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.50
Rot. Bonds8

About 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide

2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide (PubChem CID 4721633) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
PubChem CID4721633
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
SMILESCOc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H19ClN2O3/c1-22-15-8-13(7-14(18)17(15)23-11-16(19)21)10-20-9-12-5-3-2-4-6-12/h2-8,20H,9-11H2,1H3,(H2,19,21)
InChIKeyKEDCYJDGYHCTFC-UHFFFAOYSA-N
XLogP2.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4714600
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide (CID 4721633) is 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide is COc1cc(CNCc2ccccc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide?
The InChIKey is KEDCYJDGYHCTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-15-8-13(7-14(18)17(15)23-11-16(19)21)10-20-9-12-5-3-2-4-6-12/h2-8,20H,9-11H2,1H3,(H2,19,21).
What are the key properties of 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide?
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide has a molecular weight of 334.80 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 4721633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).