1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide

C14H16FN3O3 — CID 137419677

IUPAC1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
SMILESCNC(=O)C1(NC=O)CC(C(N)=O)(c2cccc(F)c2)C1
InChIInChI=1S/C14H16FN3O3/c1-17-12(21)14(18-8-19)6-13(7-14,11(16)20)9-3-2-4-10(15)5-9/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNXZBPAJADVAYGS-UHFFFAOYSA-N
MW293.30 g/mol
LogP-0.43
Rot. Bonds5

About 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide

1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide (PubChem CID 137419677) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
PubChem CID137419677
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
SMILESCNC(=O)C1(NC=O)CC(C(N)=O)(c2cccc(F)c2)C1
InChIInChI=1S/C14H16FN3O3/c1-17-12(21)14(18-8-19)6-13(7-14,11(16)20)9-3-2-4-10(15)5-9/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyNXZBPAJADVAYGS-UHFFFAOYSA-N
XLogP-0.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide?
The IUPAC name of 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide (CID 137419677) is 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide is CNC(=O)C1(NC=O)CC(C(N)=O)(c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide?
The InChIKey is NXZBPAJADVAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c1-17-12(21)14(18-8-19)6-13(7-14,11(16)20)9-3-2-4-10(15)5-9/h2-5,8H,6-7H2,1H3,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide?
1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide has a molecular weight of 293.30 g/mol, XLogP of -0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide is sourced from PubChem (CID 137419677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).