4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid

C22H18FNO5 — CID 68692642

IUPAC4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H18FNO5/c23-18-6-2-1-5-17(18)21(25)24-19-7-3-4-8-20(19)29-14-13-28-16-11-9-15(10-12-16)22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
InChIKeyGZDZCBWKUIETNM-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.23
Rot. Bonds8

About 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid

4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid (PubChem CID 68692642) has the molecular formula C22H18FNO5 and a molecular weight of 395.39 g/mol. Its IUPAC name is 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
PubChem CID68692642
Molecular FormulaC22H18FNO5
Molecular Weight395.39 g/mol
Exact Mass395.12
IUPAC Name4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H18FNO5/c23-18-6-2-1-5-17(18)21(25)24-19-7-3-4-8-20(19)29-14-13-28-16-11-9-15(10-12-16)22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27)
InChIKeyGZDZCBWKUIETNM-UHFFFAOYSA-N
XLogP4.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68690130
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
2-ethoxy-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130918
N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808
4-[2-[2-(3-phenylprop-2-enoylamino)phenoxy]ethoxy]benzoic acid
CID 68690016
2-(2-phenoxyethoxy)-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098022
2-fluoro-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 17340482
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
N-[2-[2-(4-fluorophenoxy)ethoxy]phenyl]acetamide
CID 7506171
2,4-dichloro-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130832
tert-butyl 4-[2-[(2-fluorobenzoyl)amino]phenoxy]benzoate
CID 174548801
4-[2-[2-[(2,4-difluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid;4-[2-[2-[(2-fluorophenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 158940968

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid (CID 68692642) is 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid is O=C(O)c1ccc(OCCOc2ccccc2NC(=O)c2ccccc2F)cc1.
What is the InChIKey of 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The InChIKey is GZDZCBWKUIETNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO5/c23-18-6-2-1-5-17(18)21(25)24-19-7-3-4-8-20(19)29-14-13-28-16-11-9-15(10-12-16)22(26)27/h1-12H,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid?
4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid has a molecular weight of 395.39 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid is sourced from PubChem (CID 68692642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).