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

C23H19Cl2NO4 — CID 24952548

IUPAC2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C23H19Cl2NO4/c1-14-9-15(11-22(27)28)5-8-21(14)26-23(29)19-12-18(6-7-20(19)25)30-13-16-3-2-4-17(24)10-16/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyGNRUGFORQGEABS-UHFFFAOYSA-N
MW444.31 g/mol
LogP5.76
Rot. Bonds7

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

2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid (PubChem CID 24952548) has the molecular formula C23H19Cl2NO4 and a molecular weight of 444.31 g/mol. Its IUPAC name is 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
PubChem CID24952548
Molecular FormulaC23H19Cl2NO4
Molecular Weight444.31 g/mol
Exact Mass443.07
IUPAC Name2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid
SMILESCc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1Cl
InChIInChI=1S/C23H19Cl2NO4/c1-14-9-15(11-22(27)28)5-8-21(14)26-23(29)19-12-18(6-7-20(19)25)30-13-16-3-2-4-17(24)10-16/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyGNRUGFORQGEABS-UHFFFAOYSA-N
XLogP5.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.31
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]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-[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-[[[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
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-(methylamino)butanamide
CID 119773656
N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773673
[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-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
(2S)-2-amino-N-[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119317790
6-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]pyridine-3-carboxylic acid
CID 42601942

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid?
The IUPAC name of 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid (CID 24952548) is 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid is Cc1cc(CC(=O)O)ccc1NC(=O)c1cc(OCc2cccc(Cl)c2)ccc1Cl.
What is the InChIKey of 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid?
The InChIKey is GNRUGFORQGEABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2NO4/c1-14-9-15(11-22(27)28)5-8-21(14)26-23(29)19-12-18(6-7-20(19)25)30-13-16-3-2-4-17(24)10-16/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid?
2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid has a molecular weight of 444.31 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]-3-methylphenyl]acetic acid is sourced from PubChem (CID 24952548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).