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

C12H15FN2O — CID 103563294

IUPAC1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(Nc2ccc(F)cc2)(C(N)=O)C1
InChIInChI=1S/C12H15FN2O/c1-8-6-12(7-8,11(14)16)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,14,16)
InChIKeyQRMJULZUTCLXJZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.89
Rot. Bonds3

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

1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide (PubChem CID 103563294) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
PubChem CID103563294
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(Nc2ccc(F)cc2)(C(N)=O)C1
InChIInChI=1S/C12H15FN2O/c1-8-6-12(7-8,11(14)16)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,14,16)
InChIKeyQRMJULZUTCLXJZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide (CID 103563294) is 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide is CC1CC(Nc2ccc(F)cc2)(C(N)=O)C1.
What is the InChIKey of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide?
The InChIKey is QRMJULZUTCLXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-6-12(7-8,11(14)16)15-10-4-2-9(13)3-5-10/h2-5,8,15H,6-7H2,1H3,(H2,14,16).
What are the key properties of 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide?
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 103563294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).