1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C25H24FN3O3 — CID 176908869

IUPAC1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)c1cccc(Oc2ccccc2N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C25H24FN3O3/c1-28(2)19-6-5-7-20(16-19)32-22-9-4-3-8-21(22)29(18-12-10-17(26)11-13-18)24(31)25(14-15-25)23(27)30/h3-13,16H,14-15H2,1-2H3,(H2,27,30)
InChIKeyCOSPTTLDXCYGPB-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.61
Rot. Bonds7

About 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 176908869) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID176908869
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCN(C)c1cccc(Oc2ccccc2N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C25H24FN3O3/c1-28(2)19-6-5-7-20(16-19)32-22-9-4-3-8-21(22)29(18-12-10-17(26)11-13-18)24(31)25(14-15-25)23(27)30/h3-13,16H,14-15H2,1-2H3,(H2,27,30)
InChIKeyCOSPTTLDXCYGPB-UHFFFAOYSA-N
XLogP4.61
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 176908869) is 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is CN(C)c1cccc(Oc2ccccc2N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)c1.
What is the InChIKey of 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is COSPTTLDXCYGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-28(2)19-6-5-7-20(16-19)32-22-9-4-3-8-21(22)29(18-12-10-17(26)11-13-18)24(31)25(14-15-25)23(27)30/h3-13,16H,14-15H2,1-2H3,(H2,27,30).
What are the key properties of 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 433.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-[3-(dimethylamino)phenoxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 176908869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).