2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid

C17H16FNO4 — CID 20994189

IUPAC2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H16FNO4/c1-17(2,16(21)22)23-14-9-3-11(4-10-14)15(20)19-13-7-5-12(18)6-8-13/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyYCPRQOZGRLMIOQ-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.32
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid

2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid (PubChem CID 20994189) has the molecular formula C17H16FNO4 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
PubChem CID20994189
Molecular FormulaC17H16FNO4
Molecular Weight317.32 g/mol
Exact Mass317.11
IUPAC Name2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid
SMILESCC(C)(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H16FNO4/c1-17(2,16(21)22)23-14-9-3-11(4-10-14)15(20)19-13-7-5-12(18)6-8-13/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyYCPRQOZGRLMIOQ-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
4-fluoro-N-[4-[2-[4-[(4-fluorobenzoyl)amino]phenoxy]ethoxy]phenyl]benzamide
CID 17386974
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
methyl 2-[[4-[(4-fluorobenzoyl)amino]benzoyl]amino]acetate
CID 9049144
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
2-[4-[4-amino-2-(4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]-2-methylpropanoic acid
CID 166792848
2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid (CID 20994189) is 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid is CC(C)(Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is YCPRQOZGRLMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO4/c1-17(2,16(21)22)23-14-9-3-11(4-10-14)15(20)19-13-7-5-12(18)6-8-13/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid?
2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 317.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 20994189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).