2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide

C17H19ClN2O2 — CID 170046008

IUPAC2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
SMILESCNCc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-19-10-13-2-4-14(5-3-13)11-20-17(21)12-22-16-8-6-15(18)7-9-16/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyPDVLVNDFGPDDNK-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide

2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide (PubChem CID 170046008) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
PubChem CID170046008
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide
SMILESCNCc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-19-10-13-2-4-14(5-3-13)11-20-17(21)12-22-16-8-6-15(18)7-9-16/h2-9,19H,10-12H2,1H3,(H,20,21)
InChIKeyPDVLVNDFGPDDNK-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 110285271
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
2-(4-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 42007084
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-(methylamino)acetamide
CID 119773408
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
2-(4-chlorophenoxy)-N-[(1-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 110730520
2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
(2S)-3-[4-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 68856560
2-(6-bromonaphthalen-2-yl)oxy-N-[(4-chlorophenyl)methyl]acetamide
CID 7786789
N-[(4-chlorophenyl)methyl]-2-[4-[methyl(propan-2-ylcarbamoyl)amino]phenoxy]acetamide
CID 55864990
2-[4-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide (CID 170046008) is 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide is CNCc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is PDVLVNDFGPDDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-19-10-13-2-4-14(5-3-13)11-20-17(21)12-22-16-8-6-15(18)7-9-16/h2-9,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide?
2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 318.80 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[4-(methylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 170046008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).