2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid

C13H13FINO3 — CID 103790762

IUPAC2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(F)cc2I)CCC1
InChIInChI=1S/C13H13FINO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeySTQILEKUILDHSQ-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 103790762) has the molecular formula C13H13FINO3 and a molecular weight of 377.15 g/mol. Its IUPAC name is 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
PubChem CID103790762
Molecular FormulaC13H13FINO3
Molecular Weight377.15 g/mol
Exact Mass376.99
IUPAC Name2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(F)cc2I)CCC1
InChIInChI=1S/C13H13FINO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18)
InChIKeySTQILEKUILDHSQ-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.56
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-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(2-iodo-5-nitrobenzoyl)amino]cyclobutyl]acetic acid
CID 103790767
2-[1-[(5-chloro-2-iodobenzoyl)amino]cyclohexyl]acetic acid
CID 103790760
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378
2-[1-[(2,4-dichloro-5-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848631
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 104890921
2-[1-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 114037013
5-fluoro-2-hydroxy-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115883957
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-[(2-chloro-4,5-difluorobenzoyl)amino]cyclopentyl]acetic acid
CID 64672784
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114368164

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid (CID 103790762) is 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(F)cc2I)CCC1.
What is the InChIKey of 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is STQILEKUILDHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FINO3/c14-8-2-3-9(10(15)6-8)12(19)16-13(4-1-5-13)7-11(17)18/h2-3,6H,1,4-5,7H2,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 377.15 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluoro-2-iodobenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103790762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).