[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium

C17H19ClFN2O3+ — CID 7632298

IUPAC[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H18ClFN2O3/c1-23-15-7-12(6-14(18)17(15)24-10-16(20)22)9-21-8-11-2-4-13(19)5-3-11/h2-7,21H,8-10H2,1H3,(H2,20,22)/p+1
InChIKeyMDPMIAFIEBQMEX-UHFFFAOYSA-O
MW353.80 g/mol
LogP1.62
Rot. Bonds8

About [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium (PubChem CID 7632298) has the molecular formula C17H19ClFN2O3+ and a molecular weight of 353.80 g/mol. Its IUPAC name is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium.

Molecular Properties

Compound Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
PubChem CID7632298
Molecular FormulaC17H19ClFN2O3+
Molecular Weight353.80 g/mol
Exact Mass353.11
IUPAC Name[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium
SMILESCOc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H18ClFN2O3/c1-23-15-7-12(6-14(18)17(15)24-10-16(20)22)9-21-8-11-2-4-13(19)5-3-11/h2-7,21H,8-10H2,1H3,(H2,20,22)/p+1
InChIKeyMDPMIAFIEBQMEX-UHFFFAOYSA-O
XLogP1.62
TPSA78.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-(2-phenylethyl)azanium
CID 7632140
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
2-[2-chloro-6-ethoxy-4-[[(4-fluorophenyl)methylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17293050
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[4-[[azetidin-3-yl(methyl)amino]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 66186821
[4-(2-amino-2-oxoethoxy)-3-chloro-5-ethoxyphenyl]methyl-(thiophen-2-ylmethyl)azanium
CID 7248526
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
(5-fluoro-2-nitrophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 55487110

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium?
The IUPAC name of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium (CID 7632298) is [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium.
What is the SMILES notation for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium?
The canonical SMILES for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium is COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium?
The InChIKey is MDPMIAFIEBQMEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClFN2O3/c1-23-15-7-12(6-14(18)17(15)24-10-16(20)22)9-21-8-11-2-4-13(19)5-3-11/h2-7,21H,8-10H2,1H3,(H2,20,22)/p+1.
What are the key properties of [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium?
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium has a molecular weight of 353.80 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[(4-fluorophenyl)methyl]azanium is sourced from PubChem (CID 7632298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).