2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid

C15H11FN2O6 — CID 127053811

IUPAC2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11FN2O6/c16-9-4-5-12(13(6-9)24-8-14(19)20)15(21)17-10-2-1-3-11(7-10)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20)
InChIKeyULPCPDPWLSCEDU-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.45
Rot. Bonds6

About 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid

2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid (PubChem CID 127053811) has the molecular formula C15H11FN2O6 and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid
PubChem CID127053811
Molecular FormulaC15H11FN2O6
Molecular Weight334.26 g/mol
Exact Mass334.06
IUPAC Name2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H11FN2O6/c16-9-4-5-12(13(6-9)24-8-14(19)20)15(21)17-10-2-1-3-11(7-10)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20)
InChIKeyULPCPDPWLSCEDU-UHFFFAOYSA-N
XLogP2.45
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid (CID 127053811) is 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid is O=C(O)COc1cc(F)ccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is ULPCPDPWLSCEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O6/c16-9-4-5-12(13(6-9)24-8-14(19)20)15(21)17-10-2-1-3-11(7-10)18(22)23/h1-7H,8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid?
2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 334.26 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(3-nitrophenyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 127053811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).