2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid

C18H16Cl3FN2O4 — CID 69252320

IUPAC2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F
InChIInChI=1S/C18H16Cl3FN2O4/c1-2-23-14-6-11(19)3-10(16(14)22)8-28-17-12(20)4-9(5-13(17)21)18(27)24-7-15(25)26/h3-6,23H,2,7-8H2,1H3,(H,24,27)(H,25,26)
InChIKeyVJYONSFXTHSZCE-UHFFFAOYSA-N
MW449.69 g/mol
LogP4.61
Rot. Bonds8

About 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid

2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid (PubChem CID 69252320) has the molecular formula C18H16Cl3FN2O4 and a molecular weight of 449.69 g/mol. Its IUPAC name is 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
PubChem CID69252320
Molecular FormulaC18H16Cl3FN2O4
Molecular Weight449.69 g/mol
Exact Mass448.02
IUPAC Name2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
SMILESCCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F
InChIInChI=1S/C18H16Cl3FN2O4/c1-2-23-14-6-11(19)3-10(16(14)22)8-28-17-12(20)4-9(5-13(17)21)18(27)24-7-15(25)26/h3-6,23H,2,7-8H2,1H3,(H,24,27)(H,25,26)
InChIKeyVJYONSFXTHSZCE-UHFFFAOYSA-N
XLogP4.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.69
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]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

2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]phenyl]acetic acid
CID 87883377
2-[[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[5-chloro-2-fluoro-3-(propylamino)phenyl]methoxy]phenyl]acetic acid
CID 87883491
2-[[3,5-dichloro-4-[[2-fluoro-3-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246276
2-[[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(propanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69317451
2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 91091914
2-[[3,5-dichloro-4-[[3-chloro-5-(propylamino)phenyl]methoxy]benzoyl]amino]acetic acid
CID 69246199
2-[[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]benzoyl]amino]acetic acid;2-[3,5-dichloro-4-[[2-fluoro-5-methyl-3-(2-methylpropanoylamino)phenyl]methoxy]phenyl]acetic acid
CID 87884463
2-[3,5-dichloro-4-[[5-chloro-3-(cyclopropylmethylamino)-2-fluorophenyl]methoxy]phenyl]acetic acid
CID 91485958
2-[[3,5-dibromo-4-[[3-(cyclopropylmethylamino)-2-fluoro-5-methylphenyl]methoxy]benzoyl]amino]acetic acid
CID 69246838
2-[[3,5-dichloro-4-[[3-(ethylsulfonylamino)-5-fluorophenyl]methoxy]benzoyl]amino]acetic acid
CID 87884372
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[3,5-dibromo-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]phenyl]acetic acid;2-[[3,5-dichloro-4-[[3-(ethylamino)-5-(trifluoromethyl)phenyl]methoxy]benzoyl]amino]acetic acid
CID 160735559

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid (CID 69252320) is 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid is CCNc1cc(Cl)cc(COc2c(Cl)cc(C(=O)NCC(=O)O)cc2Cl)c1F.
What is the InChIKey of 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid?
The InChIKey is VJYONSFXTHSZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl3FN2O4/c1-2-23-14-6-11(19)3-10(16(14)22)8-28-17-12(20)4-9(5-13(17)21)18(27)24-7-15(25)26/h3-6,23H,2,7-8H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid?
2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid has a molecular weight of 449.69 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-4-[[5-chloro-3-(ethylamino)-2-fluorophenyl]methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 69252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).