2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid

C15H11FINO3 — CID 103803781

IUPAC2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C15H11FINO3/c16-10-4-5-12(13(17)8-10)15(21)18-11-3-1-2-9(6-11)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyKUWYPLLNRKJWLJ-UHFFFAOYSA-N
MW399.16 g/mol
LogP3.31
Rot. Bonds4

About 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid

2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid (PubChem CID 103803781) has the molecular formula C15H11FINO3 and a molecular weight of 399.16 g/mol. Its IUPAC name is 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
PubChem CID103803781
Molecular FormulaC15H11FINO3
Molecular Weight399.16 g/mol
Exact Mass398.98
IUPAC Name2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(F)cc2I)c1
InChIInChI=1S/C15H11FINO3/c16-10-4-5-12(13(17)8-10)15(21)18-11-3-1-2-9(6-11)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20)
InChIKeyKUWYPLLNRKJWLJ-UHFFFAOYSA-N
XLogP3.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.16
LogP ≤ 53.31
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

2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 65346308
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
N-[3-(bromomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299606
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
2-bromo-N-[3-(chloromethyl)phenyl]-5-fluorobenzamide
CID 113270977

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid (CID 103803781) is 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2ccc(F)cc2I)c1.
What is the InChIKey of 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid?
The InChIKey is KUWYPLLNRKJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FINO3/c16-10-4-5-12(13(17)8-10)15(21)18-11-3-1-2-9(6-11)7-14(19)20/h1-6,8H,7H2,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid?
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid has a molecular weight of 399.16 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 103803781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).