1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

C17H22F2N2O2 — CID 108980321

IUPAC1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O2/c1-3-9-21(10-4-2)16(23)17(7-8-17)15(22)20-14-6-5-12(18)11-13(14)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22)
InChIKeyGPLZFJGYBICYID-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.33
Rot. Bonds7

About 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide

1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (PubChem CID 108980321) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
PubChem CID108980321
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H22F2N2O2/c1-3-9-21(10-4-2)16(23)17(7-8-17)15(22)20-14-6-5-12(18)11-13(14)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22)
InChIKeyGPLZFJGYBICYID-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970362
1-N-(2,4-difluorophenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981020
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
1-N-(2,4-difluorophenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978102
1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108977470
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-(3-aminopropyl)-3-(2,4-difluorophenyl)-1-propylurea
CID 43288499
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437
3-N-(2,4-difluorophenyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107640
1-N-(2-bromo-4-methylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979129

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (CID 108980321) is 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is CCCN(CCC)C(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The InChIKey is GPLZFJGYBICYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-3-9-21(10-4-2)16(23)17(7-8-17)15(22)20-14-6-5-12(18)11-13(14)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22).
What are the key properties of 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide has a molecular weight of 324.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).