2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid

C14H11FINO2 — CID 114283022

IUPAC2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1cccc(I)c1
InChIInChI=1S/C14H11FINO2/c15-10-4-6-12(7-5-10)17-13(14(18)19)9-2-1-3-11(16)8-9/h1-8,13,17H,(H,18,19)
InChIKeyORAWEROZXZSUKZ-UHFFFAOYSA-N
MW371.15 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid

2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid (PubChem CID 114283022) has the molecular formula C14H11FINO2 and a molecular weight of 371.15 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid
PubChem CID114283022
Molecular FormulaC14H11FINO2
Molecular Weight371.15 g/mol
Exact Mass370.98
IUPAC Name2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid
SMILESO=C(O)C(Nc1ccc(F)cc1)c1cccc(I)c1
InChIInChI=1S/C14H11FINO2/c15-10-4-6-12(7-5-10)17-13(14(18)19)9-2-1-3-11(16)8-9/h1-8,13,17H,(H,18,19)
InChIKeyORAWEROZXZSUKZ-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.15
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
methyl 2-anilino-2-(3-iodophenyl)acetate
CID 114283019
2-(3-bromo-4-fluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992095
2-[4-(difluoromethyl)phenyl]-2-(4-fluoroanilino)acetic acid
CID 115524519
(2R)-2-(4-chlorophenyl)-2-(4-fluoroanilino)acetic acid
CID 7152583
2-(4-fluoroanilino)-2-(3-hydroxyphenyl)acetamide
CID 54892208
2-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)acetic acid
CID 60992329
2-(4-fluoroanilino)-2-(4-methylsulfanylphenyl)acetic acid
CID 60991973
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(4-fluoroanilino)-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 60992204
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid?
The IUPAC name of 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid (CID 114283022) is 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid.
What is the SMILES notation for 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid?
The canonical SMILES for 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid is O=C(O)C(Nc1ccc(F)cc1)c1cccc(I)c1.
What is the InChIKey of 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid?
The InChIKey is ORAWEROZXZSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FINO2/c15-10-4-6-12(7-5-10)17-13(14(18)19)9-2-1-3-11(16)8-9/h1-8,13,17H,(H,18,19).
What are the key properties of 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid?
2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid has a molecular weight of 371.15 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-(3-iodophenyl)acetic acid is sourced from PubChem (CID 114283022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).