[(4-fluorophenyl)methyl-formylamino]carbamic acid

C9H9FN2O3 — CID 87274668

IUPAC[(4-fluorophenyl)methyl-formylamino]carbamic acid
SMILESO=CN(Cc1ccc(F)cc1)NC(=O)O
InChIInChI=1S/C9H9FN2O3/c10-8-3-1-7(2-4-8)5-12(6-13)11-9(14)15/h1-4,6,11H,5H2,(H,14,15)
InChIKeyIJGSFUFYCXIGFR-UHFFFAOYSA-N
MW212.18 g/mol
LogP0.97
Rot. Bonds4

About [(4-fluorophenyl)methyl-formylamino]carbamic acid

[(4-fluorophenyl)methyl-formylamino]carbamic acid (PubChem CID 87274668) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is [(4-fluorophenyl)methyl-formylamino]carbamic acid.

Molecular Properties

Compound Name[(4-fluorophenyl)methyl-formylamino]carbamic acid
PubChem CID87274668
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name[(4-fluorophenyl)methyl-formylamino]carbamic acid
SMILESO=CN(Cc1ccc(F)cc1)NC(=O)O
InChIInChI=1S/C9H9FN2O3/c10-8-3-1-7(2-4-8)5-12(6-13)11-9(14)15/h1-4,6,11H,5H2,(H,14,15)
InChIKeyIJGSFUFYCXIGFR-UHFFFAOYSA-N
XLogP0.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)methyl-formylamino]carbamic acid?
The IUPAC name of [(4-fluorophenyl)methyl-formylamino]carbamic acid (CID 87274668) is [(4-fluorophenyl)methyl-formylamino]carbamic acid.
What is the SMILES notation for [(4-fluorophenyl)methyl-formylamino]carbamic acid?
The canonical SMILES for [(4-fluorophenyl)methyl-formylamino]carbamic acid is O=CN(Cc1ccc(F)cc1)NC(=O)O.
What is the InChIKey of [(4-fluorophenyl)methyl-formylamino]carbamic acid?
The InChIKey is IJGSFUFYCXIGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c10-8-3-1-7(2-4-8)5-12(6-13)11-9(14)15/h1-4,6,11H,5H2,(H,14,15).
What are the key properties of [(4-fluorophenyl)methyl-formylamino]carbamic acid?
[(4-fluorophenyl)methyl-formylamino]carbamic acid has a molecular weight of 212.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)methyl-formylamino]carbamic acid is sourced from PubChem (CID 87274668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).