2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid

C21H14Cl2FNO4 — CID 59654625

IUPAC2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2F)c1
InChIInChI=1S/C21H14Cl2FNO4/c22-14-6-13(7-15(23)9-14)12-4-5-19(24)18(8-12)21(28)25-16-2-1-3-17(10-16)29-11-20(26)27/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyUMGASHZNNIAVFF-UHFFFAOYSA-N
MW434.25 g/mol
LogP5.52
Rot. Bonds6

About 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid

2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid (PubChem CID 59654625) has the molecular formula C21H14Cl2FNO4 and a molecular weight of 434.25 g/mol. Its IUPAC name is 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
PubChem CID59654625
Molecular FormulaC21H14Cl2FNO4
Molecular Weight434.25 g/mol
Exact Mass433.03
IUPAC Name2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2F)c1
InChIInChI=1S/C21H14Cl2FNO4/c22-14-6-13(7-15(23)9-14)12-4-5-19(24)18(8-12)21(28)25-16-2-1-3-17(10-16)29-11-20(26)27/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyUMGASHZNNIAVFF-UHFFFAOYSA-N
XLogP5.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.25
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-[(4-chloropyridine-2-carbonyl)amino]phenoxy]acetic acid
CID 61058340
3,5-dichloro-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17133560
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,4-dichloro-5-fluorobenzamide
CID 18155447
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-(thiadiazole-5-carbonylamino)phenoxy]acetic acid
CID 61058223
2-[3-(1,2-oxazole-5-carbonylamino)phenoxy]acetic acid
CID 55148878
2-[3-[(7-methylnaphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 66661015
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid (CID 59654625) is 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)c2cc(-c3cc(Cl)cc(Cl)c3)ccc2F)c1.
What is the InChIKey of 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid?
The InChIKey is UMGASHZNNIAVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FNO4/c22-14-6-13(7-15(23)9-14)12-4-5-19(24)18(8-12)21(28)25-16-2-1-3-17(10-16)29-11-20(26)27/h1-10H,11H2,(H,25,28)(H,26,27).
What are the key properties of 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid?
2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid has a molecular weight of 434.25 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(3,5-dichlorophenyl)-2-fluorobenzoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 59654625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).