2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid

C19H20ClNO5 — CID 120689902

IUPAC2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid
SMILESCOc1cccc(Cl)c1CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H20ClNO5/c1-21(11-13-6-8-14(9-7-13)26-12-19(23)24)18(22)10-15-16(20)4-3-5-17(15)25-2/h3-9H,10-12H2,1-2H3,(H,23,24)
InChIKeyNUWPIEGIFLQUGL-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.01
Rot. Bonds8

About 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid

2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid (PubChem CID 120689902) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid
PubChem CID120689902
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid
SMILESCOc1cccc(Cl)c1CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H20ClNO5/c1-21(11-13-6-8-14(9-7-13)26-12-19(23)24)18(22)10-15-16(20)4-3-5-17(15)25-2/h3-9H,10-12H2,1-2H3,(H,23,24)
InChIKeyNUWPIEGIFLQUGL-UHFFFAOYSA-N
XLogP3.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
3-(2-chloro-6-methoxyphenyl)-2-oxopropanoic acid
CID 104816509
2-[4-[[[3-(3-chlorophenyl)-2-methylpropanoyl]-methylamino]methyl]phenoxy]acetic acid
CID 120538009
3-[[2-(2,6-dimethoxyphenyl)acetyl]-methylamino]propanoic acid
CID 119362723
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(2-chloro-6-methoxyphenyl)-N-methyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]acetamide
CID 99607051
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
2-(3-chloro-4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 112778755
2-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 54941021
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid (CID 120689902) is 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid is COc1cccc(Cl)c1CC(=O)N(C)Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid?
The InChIKey is NUWPIEGIFLQUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-21(11-13-6-8-14(9-7-13)26-12-19(23)24)18(22)10-15-16(20)4-3-5-17(15)25-2/h3-9H,10-12H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid?
2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid has a molecular weight of 377.82 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2-chloro-6-methoxyphenyl)acetyl]-methylamino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 120689902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).