2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid

C18H18Cl3NO4 — CID 66528811

IUPAC2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3NO4/c1-2-25-16-7-11(8-22-9-17(23)24)6-15(21)18(16)26-10-12-13(19)4-3-5-14(12)20/h3-7,22H,2,8-10H2,1H3,(H,23,24)
InChIKeyQMLGDPBKIXSFMO-UHFFFAOYSA-N
MW418.70 g/mol
LogP4.80
Rot. Bonds9

About 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid

2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid (PubChem CID 66528811) has the molecular formula C18H18Cl3NO4 and a molecular weight of 418.70 g/mol. Its IUPAC name is 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid
PubChem CID66528811
Molecular FormulaC18H18Cl3NO4
Molecular Weight418.70 g/mol
Exact Mass417.03
IUPAC Name2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid
SMILESCCOc1cc(CNCC(=O)O)cc(Cl)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H18Cl3NO4/c1-2-25-16-7-11(8-22-9-17(23)24)6-15(21)18(16)26-10-12-13(19)4-3-5-14(12)20/h3-7,22H,2,8-10H2,1H3,(H,23,24)
InChIKeyQMLGDPBKIXSFMO-UHFFFAOYSA-N
XLogP4.80
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.70
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51994921
2-[2-chloro-6-ethoxy-4-(ethylaminomethyl)phenoxy]acetic acid
CID 102535900
2-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-3-methylbutanoic acid
CID 66528680
(2R)-1-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propan-2-ol
CID 51997136
2-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528700
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288906
N-carbamothioyl-3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxybenzamide
CID 132591215
(2R)-N-[[3-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 51995054
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4716543
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]butan-1-amine;hydrochloride
CID 17289469
2-[[3-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propanoic acid
CID 66528734
4-[[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]methyl]benzoic acid;hydrochloride
CID 17295331

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid (CID 66528811) is 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid is CCOc1cc(CNCC(=O)O)cc(Cl)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid?
The InChIKey is QMLGDPBKIXSFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO4/c1-2-25-16-7-11(8-22-9-17(23)24)6-15(21)18(16)26-10-12-13(19)4-3-5-14(12)20/h3-7,22H,2,8-10H2,1H3,(H,23,24).
What are the key properties of 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid?
2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid has a molecular weight of 418.70 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]acetic acid is sourced from PubChem (CID 66528811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).