2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid

C23H18ClF2NO4 — CID 155988170

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H18ClF2NO4/c24-20-11-18(25)8-5-16(20)12-27(13-22(28)29)23(30)15-6-9-19(10-7-15)31-14-17-3-1-2-4-21(17)26/h1-11H,12-14H2,(H,28,29)
InChIKeyQXLIICXRPNCJSY-UHFFFAOYSA-N
MW445.85 g/mol
LogP4.92
Rot. Bonds8

About 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid

2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid (PubChem CID 155988170) has the molecular formula C23H18ClF2NO4 and a molecular weight of 445.85 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid
PubChem CID155988170
Molecular FormulaC23H18ClF2NO4
Molecular Weight445.85 g/mol
Exact Mass445.09
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C23H18ClF2NO4/c24-20-11-18(25)8-5-16(20)12-27(13-22(28)29)23(30)15-6-9-19(10-7-15)31-14-17-3-1-2-4-21(17)26/h1-11H,12-14H2,(H,28,29)
InChIKeyQXLIICXRPNCJSY-UHFFFAOYSA-N
XLogP4.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.85
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(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

{[3-(4',5'-Difluoro-2'-methoxy-biphenyl-4-yloxymethyl)-benzoyl]-methyl-amino}-acetic acid
CID 52933306
(2S,4R)-1-[5-cyclopropyl-4-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 118653870
3-[4-(3-Chlorophenoxy)benzoyl]-1,3-oxazolidin-2-one
CID 132141068
(2-Chloro-4-fluorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 2092706
(2-Chloro-6-fluorophenyl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2418216
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-4-(phenoxymethyl)benzamide
CID 24683818
(4S,13E)-19-chloro-2-oxo-11,16-dioxa-3-azatricyclo[15.2.2.16,10]docosa-1(19),6(22),7,9,13,17,20-heptaene-4-carboxylic acid
CID 76310576
(4S)-19-chloro-2-oxo-11,16-dioxa-3-azatricyclo[15.2.2.16,10]docosa-1(19),6(22),7,9,17,20-hexaene-4-carboxylic acid
CID 76314216
(2S,5R)-5-(2-chlorophenyl)-1-(4-((2-fluorobenzyl)oxy)benzoyl)pyrrolidine-2-carboxylic acid
CID 67256464
(2S,5R)-5-(2-chlorophenyl)-1-(2''-((4-fluorobenzyl)oxy)-[1,1''-biphenyl]-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 67257286
(2S,5R)-5-(2-chlorophenyl)-1-(4''-fluoro-2''-methoxy-[1,1''-biphenyl]-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 67260760
(2S,5R)-5-(2-chlorophenyl)-1-(2''-fluoro-4''-methoxy-[1,1''-biphenyl]-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 67261482

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid (CID 155988170) is 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid?
The InChIKey is QXLIICXRPNCJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NO4/c24-20-11-18(25)8-5-16(20)12-27(13-22(28)29)23(30)15-6-9-19(10-7-15)31-14-17-3-1-2-4-21(17)26/h1-11H,12-14H2,(H,28,29).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid?
2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid has a molecular weight of 445.85 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-[4-[(2-fluorophenyl)methoxy]benzoyl]amino]acetic acid is sourced from PubChem (CID 155988170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).