1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C15H12ClFN4O2 — CID 165176689

IUPAC1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H12ClFN4O2/c16-14-19-8-5-11(20-14)21(10-3-1-9(17)2-4-10)13(23)15(6-7-15)12(18)22/h1-5,8H,6-7H2,(H2,18,22)
InChIKeyZZDFSPLSBBDEED-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.20
Rot. Bonds4

About 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 165176689) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID165176689
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccnc(Cl)n2)CC1
InChIInChI=1S/C15H12ClFN4O2/c16-14-19-8-5-11(20-14)21(10-3-1-9(17)2-4-10)13(23)15(6-7-15)12(18)22/h1-5,8H,6-7H2,(H2,18,22)
InChIKeyZZDFSPLSBBDEED-UHFFFAOYSA-N
XLogP2.20
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide 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-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 165176689) is 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(c2ccc(F)cc2)c2ccnc(Cl)n2)CC1.
What is the InChIKey of 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ZZDFSPLSBBDEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c16-14-19-8-5-11(20-14)21(10-3-1-9(17)2-4-10)13(23)15(6-7-15)12(18)22/h1-5,8H,6-7H2,(H2,18,22).
What are the key properties of 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 334.74 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 165176689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).