[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

C19H24ClN2O2+ — CID 9069508

IUPAC[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1ccc(Cl)cc1CC(=O)NCc1ccccc1C[NH+](C)C
InChIInChI=1S/C19H23ClN2O2/c1-22(2)13-15-7-5-4-6-14(15)12-21-19(23)11-16-10-17(20)8-9-18(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1
InChIKeyOHIIBBARAVVOPH-UHFFFAOYSA-O
MW347.87 g/mol
LogP1.85
Rot. Bonds7

About [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium

[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium (PubChem CID 9069508) has the molecular formula C19H24ClN2O2+ and a molecular weight of 347.87 g/mol. Its IUPAC name is [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium.

Molecular Properties

Compound Name[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
PubChem CID9069508
Molecular FormulaC19H24ClN2O2+
Molecular Weight347.87 g/mol
Exact Mass347.15
IUPAC Name[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium
SMILESCOc1ccc(Cl)cc1CC(=O)NCc1ccccc1C[NH+](C)C
InChIInChI=1S/C19H23ClN2O2/c1-22(2)13-15-7-5-4-6-14(15)12-21-19(23)11-16-10-17(20)8-9-18(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1
InChIKeyOHIIBBARAVVOPH-UHFFFAOYSA-O
XLogP1.85
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 9069509
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide
CID 82110952
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71848842
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041

Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The IUPAC name of [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium (CID 9069508) is [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium.
What is the SMILES notation for [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The canonical SMILES for [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium is COc1ccc(Cl)cc1CC(=O)NCc1ccccc1C[NH+](C)C.
What is the InChIKey of [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
The InChIKey is OHIIBBARAVVOPH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN2O2/c1-22(2)13-15-7-5-4-6-14(15)12-21-19(23)11-16-10-17(20)8-9-18(16)24-3/h4-10H,11-13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium?
[2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium has a molecular weight of 347.87 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium is sourced from PubChem (CID 9069508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).