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

C14H16F2N2O2 — CID 108970362

IUPAC1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H16F2N2O2/c1-2-7-17-12(19)14(5-6-14)13(20)18-11-4-3-9(15)8-10(11)16/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H,18,20)
InChIKeySCOGJBAAXQBHMI-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.21
Rot. Bonds5

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

1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (PubChem CID 108970362) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
PubChem CID108970362
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
SMILESCCCNC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C14H16F2N2O2/c1-2-7-17-12(19)14(5-6-14)13(20)18-11-4-3-9(15)8-10(11)16/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H,18,20)
InChIKeySCOGJBAAXQBHMI-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
1-N'-(2,4-difluorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981437
1-N'-(2,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093639
1-N-(2,4-difluorophenyl)-1-N'-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980715
1-N'-(2,4-difluorophenyl)-1-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108978471
N'-(2,4-difluorophenyl)-N-propylpropanediamide
CID 108940750
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
1-N-(2,4-difluorophenyl)-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982192
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N'-(2,4-difluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983273
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide (CID 108970362) is 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is CCCNC(=O)C1(C(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
The InChIKey is SCOGJBAAXQBHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-2-7-17-12(19)14(5-6-14)13(20)18-11-4-3-9(15)8-10(11)16/h3-4,8H,2,5-7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide?
1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide has a molecular weight of 282.29 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,4-difluorophenyl)-1-N-propylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).