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

C22H15Cl3FNO4 — CID 24952552

IUPAC2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(NC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)cc1F
InChIInChI=1S/C22H15Cl3FNO4/c23-14-3-1-2-12(6-14)11-31-15-4-5-17(24)16(9-15)22(30)27-20-10-19(26)13(7-18(20)25)8-21(28)29/h1-7,9-10H,8,11H2,(H,27,30)(H,28,29)
InChIKeyZBAKPLKBIVRVDG-UHFFFAOYSA-N
MW482.72 g/mol
LogP6.24
Rot. Bonds7

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

2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid (PubChem CID 24952552) has the molecular formula C22H15Cl3FNO4 and a molecular weight of 482.72 g/mol. Its IUPAC name is 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
PubChem CID24952552
Molecular FormulaC22H15Cl3FNO4
Molecular Weight482.72 g/mol
Exact Mass481.01
IUPAC Name2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c(NC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)cc1F
InChIInChI=1S/C22H15Cl3FNO4/c23-14-3-1-2-12(6-14)11-31-15-4-5-17(24)16(9-15)22(30)27-20-10-19(26)13(7-18(20)25)8-21(28)29/h1-7,9-10H,8,11H2,(H,27,30)(H,28,29)
InChIKeyZBAKPLKBIVRVDG-UHFFFAOYSA-N
XLogP6.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.72
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid with MolForge

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Related Compounds

2-[3-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952187
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
CID 59608437
2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 24957937
2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
CID 24958318
3,5-dichloro-4-[[2-chloro-5-[(4-chloro-2-fluorophenyl)methoxy]benzoyl]amino]benzoic acid
CID 78319503
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
CID 42601942
[2-[3-chloro-4-[[5-chloro-2-[(3-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetyl] 2-[3-chloro-4-[(5-chloro-2-phenylmethoxybenzoyl)amino]phenyl]acetate
CID 91243826
2-[(3-chlorophenyl)methoxy]-3-fluorobenzoic acid
CID 65124992
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid?
The IUPAC name of 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid (CID 24952552) is 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid?
The canonical SMILES for 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid is O=C(O)Cc1cc(Cl)c(NC(=O)c2cc(OCc3cccc(Cl)c3)ccc2Cl)cc1F.
What is the InChIKey of 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid?
The InChIKey is ZBAKPLKBIVRVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3FNO4/c23-14-3-1-2-12(6-14)11-31-15-4-5-17(24)16(9-15)22(30)27-20-10-19(26)13(7-18(20)25)8-21(28)29/h1-7,9-10H,8,11H2,(H,27,30)(H,28,29).
What are the key properties of 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid?
2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid has a molecular weight of 482.72 g/mol, XLogP of 6.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid is sourced from PubChem (CID 24952552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).