1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

C16H18F2N2O3 — CID 109133630

IUPAC1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O3/c17-13-4-3-9(6-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h3-4,6,10-12H,1-2,5,7-8H2,(H,19,21)(H,20,22)
InChIKeyWKXZOZIQYSOVRB-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.83
Rot. Bonds5

About 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133630) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133630
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C16H18F2N2O3/c17-13-4-3-9(6-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h3-4,6,10-12H,1-2,5,7-8H2,(H,19,21)(H,20,22)
InChIKeyWKXZOZIQYSOVRB-UHFFFAOYSA-N
XLogP1.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
1-(4-chloro-3-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47223543
1-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133618
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974690
5-(3,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228908
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133622
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94167086
methyl 2-[[2-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109133582
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40861903

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109133630) is 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is O=C(NCC1CCCO1)C1CC1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WKXZOZIQYSOVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O3/c17-13-4-3-9(6-14(13)18)20-16(22)12-7-11(12)15(21)19-8-10-2-1-5-23-10/h3-4,6,10-12H,1-2,5,7-8H2,(H,19,21)(H,20,22).
What are the key properties of 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 324.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).