2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid

C15H12FNO4 — CID 127053810

IUPAC2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(F)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-10-6-7-12(13(8-10)21-9-14(18)19)15(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyYEPWCTBSDKUKGO-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.54
Rot. Bonds5

About 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid

2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid (PubChem CID 127053810) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
PubChem CID127053810
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1cc(F)ccc1C(=O)Nc1ccccc1
InChIInChI=1S/C15H12FNO4/c16-10-6-7-12(13(8-10)21-9-14(18)19)15(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyYEPWCTBSDKUKGO-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-(methylcarbamoyl)phenoxy]acetic acid
CID 155801592
2-[2-(ethylcarbamoyl)-5-fluorophenoxy]acetic acid
CID 171396499
2-[[6-[(3-fluorophenyl)carbamoyl]-3-tricyclo[6.2.2.02,7]dodeca-2,4,6-trienyl]oxy]acetic acid
CID 59167724
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
5-chloro-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethoxy]-N-phenylbenzamide
CID 24619082
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2,5-bis[(3-fluorophenyl)methoxy]-N-phenylbenzamide
CID 141216434

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid (CID 127053810) is 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid is O=C(O)COc1cc(F)ccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid?
The InChIKey is YEPWCTBSDKUKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-10-6-7-12(13(8-10)21-9-14(18)19)15(20)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid?
2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid has a molecular weight of 289.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(phenylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 127053810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).