2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid

C23H19ClFNO4 — CID 24958318

IUPAC2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
SMILESCc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C23H19ClFNO4/c1-14-5-7-18(30-13-16-3-2-4-17(25)9-16)12-19(14)23(29)26-21-8-6-15(10-20(21)24)11-22(27)28/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCONGLXIWAOKSRS-UHFFFAOYSA-N
MW427.86 g/mol
LogP5.25
Rot. Bonds7

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

2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid (PubChem CID 24958318) has the molecular formula C23H19ClFNO4 and a molecular weight of 427.86 g/mol. Its IUPAC name is 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
PubChem CID24958318
Molecular FormulaC23H19ClFNO4
Molecular Weight427.86 g/mol
Exact Mass427.10
IUPAC Name2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid
SMILESCc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccc(CC(=O)O)cc1Cl
InChIInChI=1S/C23H19ClFNO4/c1-14-5-7-18(30-13-16-3-2-4-17(25)9-16)12-19(14)23(29)26-21-8-6-15(10-20(21)24)11-22(27)28/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyCONGLXIWAOKSRS-UHFFFAOYSA-N
XLogP5.25
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.86
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]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-[[2-chloro-5-[(4-chlorophenyl)methoxy]benzoyl]amino]phenyl]acetic acid
CID 24957937
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
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-[3-chloro-4-[(6-chloro-2-fluoro-3-phenylmethoxybenzoyl)amino]phenyl]acetic acid
CID 24957191
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434
2-[3-[[[2-chloro-5-[(3-chlorophenyl)methoxy]benzoyl]amino]methyl]phenyl]acetic acid
CID 59608437
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855
5-[(3-fluorophenyl)methoxy]-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 141216458
[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-ethoxy-N-[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]-1,3-oxazole-4-carboxamide
CID 75455643

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid (CID 24958318) is 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid is Cc1ccc(OCc2cccc(F)c2)cc1C(=O)Nc1ccc(CC(=O)O)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid?
The InChIKey is CONGLXIWAOKSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO4/c1-14-5-7-18(30-13-16-3-2-4-17(25)9-16)12-19(14)23(29)26-21-8-6-15(10-20(21)24)11-22(27)28/h2-10,12H,11,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid?
2-[3-chloro-4-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid has a molecular weight of 427.86 g/mol, XLogP of 5.25, 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-[[5-[(3-fluorophenyl)methoxy]-2-methylbenzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 24958318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).