1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C16H20F2N2O2 — CID 108979858

IUPAC1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-2-3-4-10-19-14(21)16(8-9-16)15(22)20-13-11(17)6-5-7-12(13)18/h5-7H,2-4,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFSOPBNFXGBEDCW-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.99
Rot. Bonds7

About 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979858) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979858
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-2-3-4-10-19-14(21)16(8-9-16)15(22)20-13-11(17)6-5-7-12(13)18/h5-7H,2-4,8-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyFSOPBNFXGBEDCW-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972660
1-(2-fluorophenyl)-N-pentylcyclobutane-1-carboxamide
CID 110437588

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979858) is 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is FSOPBNFXGBEDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-2-3-4-10-19-14(21)16(8-9-16)15(22)20-13-11(17)6-5-7-12(13)18/h5-7H,2-4,8-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).