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

C22H16Cl3NO4 — CID 24957937

IUPAC2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cc(OCc3ccc(Cl)cc3)ccc2Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl3NO4/c23-15-4-1-13(2-5-15)12-30-16-6-7-18(24)17(11-16)22(29)26-20-8-3-14(9-19(20)25)10-21(27)28/h1-9,11H,10,12H2,(H,26,29)(H,27,28)
InChIKeyMQCNDIZDYFNADN-UHFFFAOYSA-N
MW464.73 g/mol
LogP6.11
Rot. Bonds7

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

2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid (PubChem CID 24957937) has the molecular formula C22H16Cl3NO4 and a molecular weight of 464.73 g/mol. Its IUPAC name is 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
PubChem CID24957937
Molecular FormulaC22H16Cl3NO4
Molecular Weight464.73 g/mol
Exact Mass463.01
IUPAC Name2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)c2cc(OCc3ccc(Cl)cc3)ccc2Cl)c(Cl)c1
InChIInChI=1S/C22H16Cl3NO4/c23-15-4-1-13(2-5-15)12-30-16-6-7-18(24)17(11-16)22(29)26-20-8-3-14(9-19(20)25)10-21(27)28/h1-9,11H,10,12H2,(H,26,29)(H,27,28)
InChIKeyMQCNDIZDYFNADN-UHFFFAOYSA-N
XLogP6.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.73
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
CID 24952548
2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
CID 24958318
2-[5-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952552
2-[3-chloro-4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-2-fluorophenyl]acetic acid
CID 24952187
2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957191
2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
CID 59608437
[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-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
2-chloro-5-[[4-(hydroxymethyl)phenyl]methoxy]benzoic acid
CID 106500475
N-(2-chlorophenyl)-2-[(4-chlorophenyl)methoxy]benzamide
CID 7947681
2-[3-chloro-4-(4-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516053
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid (CID 24957937) is 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)c2cc(OCc3ccc(Cl)cc3)ccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The InChIKey is MQCNDIZDYFNADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl3NO4/c23-15-4-1-13(2-5-15)12-30-16-6-7-18(24)17(11-16)22(29)26-20-8-3-14(9-19(20)25)10-21(27)28/h1-9,11H,10,12H2,(H,26,29)(H,27,28).
What are the key properties of 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid has a molecular weight of 464.73 g/mol, XLogP of 6.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24957937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).