2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid

C18H19FN2O4 — CID 25219955

IUPAC2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-25-16-8-6-15(7-9-16)21(12-18(23)24)11-17(22)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyRVFXGUQNYNNKPH-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.04
Rot. Bonds8

About 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid

2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid (PubChem CID 25219955) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
PubChem CID25219955
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O4/c1-25-16-8-6-15(7-9-16)21(12-18(23)24)11-17(22)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyRVFXGUQNYNNKPH-UHFFFAOYSA-N
XLogP2.04
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The IUPAC name of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid (CID 25219955) is 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid is COc1ccc(N(CC(=O)O)CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
The InChIKey is RVFXGUQNYNNKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-25-16-8-6-15(7-9-16)21(12-18(23)24)11-17(22)20-10-13-2-4-14(19)5-3-13/h2-9H,10-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid?
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid has a molecular weight of 346.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methoxyanilino)acetic acid is sourced from PubChem (CID 25219955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).