4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid

C21H14FNO6 — CID 17296747

IUPAC4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
SMILESO=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccccc1F
InChIInChI=1S/C21H14FNO6/c22-18-7-2-1-6-16(18)19(24)23-12-4-3-5-13(10-12)29-14-8-9-15(20(25)26)17(11-14)21(27)28/h1-11H,(H,23,24)(H,25,26)(H,27,28)
InChIKeyFIQXQNIDVCOCRC-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.27
Rot. Bonds6

About 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid

4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid (PubChem CID 17296747) has the molecular formula C21H14FNO6 and a molecular weight of 395.34 g/mol. Its IUPAC name is 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid.

Molecular Properties

Compound Name4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
PubChem CID17296747
Molecular FormulaC21H14FNO6
Molecular Weight395.34 g/mol
Exact Mass395.08
IUPAC Name4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid
SMILESO=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccccc1F
InChIInChI=1S/C21H14FNO6/c22-18-7-2-1-6-16(18)19(24)23-12-4-3-5-13(10-12)29-14-8-9-15(20(25)26)17(11-14)21(27)28/h1-11H,(H,23,24)(H,25,26)(H,27,28)
InChIKeyFIQXQNIDVCOCRC-UHFFFAOYSA-N
XLogP4.27
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4-phenylbenzoyl)amino]phenoxy]phthalic acid
CID 3107993
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
4-[3-(propanoylamino)phenoxy]phthalic acid
CID 9320972
4-[3-(1-benzofuran-2-carbonylamino)phenoxy]phthalic acid
CID 17360428
2-fluoro-N-(3-prop-2-enoxyphenyl)benzamide
CID 6461638
4-[2-[(2-carboxybenzoyl)amino]phenoxy]phthalic acid
CID 18506111
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid?
The IUPAC name of 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid (CID 17296747) is 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid.
What is the SMILES notation for 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid?
The canonical SMILES for 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid is O=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccccc1F.
What is the InChIKey of 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid?
The InChIKey is FIQXQNIDVCOCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO6/c22-18-7-2-1-6-16(18)19(24)23-12-4-3-5-13(10-12)29-14-8-9-15(20(25)26)17(11-14)21(27)28/h1-11H,(H,23,24)(H,25,26)(H,27,28).
What are the key properties of 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid?
4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid has a molecular weight of 395.34 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-fluorobenzoyl)amino]phenoxy]phthalic acid is sourced from PubChem (CID 17296747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).