1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide

C12H15FN2O2 — CID 106822441

IUPAC1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(Nc2ccc(F)cc2)(C(N)=O)C1
InChIInChI=1S/C12H15FN2O2/c1-17-10-6-12(7-10,11(14)16)15-9-4-2-8(13)3-5-9/h2-5,10,15H,6-7H2,1H3,(H2,14,16)
InChIKeyALWBFVHNUUACBE-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.27
Rot. Bonds4

About 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide

1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide (PubChem CID 106822441) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
PubChem CID106822441
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide
SMILESCOC1CC(Nc2ccc(F)cc2)(C(N)=O)C1
InChIInChI=1S/C12H15FN2O2/c1-17-10-6-12(7-10,11(14)16)15-9-4-2-8(13)3-5-9/h2-5,10,15H,6-7H2,1H3,(H2,14,16)
InChIKeyALWBFVHNUUACBE-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide (CID 106822441) is 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide is COC1CC(Nc2ccc(F)cc2)(C(N)=O)C1.
What is the InChIKey of 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide?
The InChIKey is ALWBFVHNUUACBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-10-6-12(7-10,11(14)16)15-9-4-2-8(13)3-5-9/h2-5,10,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide?
1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide has a molecular weight of 238.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 106822441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).