2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid

C15H12FNO4 — CID 28762936

IUPAC2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-15(20)10-2-1-3-13(8-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGXEFOQHZVHDXPN-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.54
Rot. Bonds5

About 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid

2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid (PubChem CID 28762936) has the molecular formula C15H12FNO4 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
PubChem CID28762936
Molecular FormulaC15H12FNO4
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-15(20)10-2-1-3-13(8-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyGXEFOQHZVHDXPN-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

3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-[(5-fluoropyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 104785523
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 31857522
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-[4-[[3-(4-nitrophenoxy)benzoyl]amino]phenoxy]acetic acid
CID 17172355

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid (CID 28762936) is 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is GXEFOQHZVHDXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO4/c16-11-4-6-12(7-5-11)17-15(20)10-2-1-3-13(8-10)21-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid?
2-[3-[(4-fluorophenyl)carbamoyl]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-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 28762936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).