1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid

C12H11FINO3 — CID 79766775

IUPAC1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2I)CCC1
InChIInChI=1S/C12H11FINO3/c13-7-2-3-9(8(14)6-7)15-10(16)12(11(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,15,16)(H,17,18)
InChIKeyQVWDTHWVTPDNGY-UHFFFAOYSA-N
MW363.13 g/mol
LogP2.62
Rot. Bonds3

About 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 79766775) has the molecular formula C12H11FINO3 and a molecular weight of 363.13 g/mol. Its IUPAC name is 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID79766775
Molecular FormulaC12H11FINO3
Molecular Weight363.13 g/mol
Exact Mass362.98
IUPAC Name1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc(F)cc2I)CCC1
InChIInChI=1S/C12H11FINO3/c13-7-2-3-9(8(14)6-7)15-10(16)12(11(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,15,16)(H,17,18)
InChIKeyQVWDTHWVTPDNGY-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(2-bromo-4-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095716
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445
1-[(5-fluoro-2-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 65481473
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
N-(4-fluoro-2-iodophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918053
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83087352
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274
1-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 172618064
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 79766775) is 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc(F)cc2I)CCC1.
What is the InChIKey of 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is QVWDTHWVTPDNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FINO3/c13-7-2-3-9(8(14)6-7)15-10(16)12(11(17)18)4-1-5-12/h2-3,6H,1,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 363.13 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 79766775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).