1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

C16H20F2N2O2 — CID 108979974

IUPAC1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-3-4-10-20(2)15(22)16(8-9-16)14(21)19-13-11(17)6-5-7-12(13)18/h5-7H,3-4,8-10H2,1-2H3,(H,19,21)
InChIKeyMJXJTVAIRYWCIN-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.94
Rot. Bonds6

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

1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108979974) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
PubChem CID108979974
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1
InChIInChI=1S/C16H20F2N2O2/c1-3-4-10-20(2)15(22)16(8-9-16)14(21)19-13-11(17)6-5-7-12(13)18/h5-7H,3-4,8-10H2,1-2H3,(H,19,21)
InChIKeyMJXJTVAIRYWCIN-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.94
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-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977917
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N'-butyl-1-N-(3-methoxyphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979910
1-N'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970270
1-N'-butyl-1-N'-methyl-1-N-(2-phenoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979955
1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108973461
N-butyl-1-(2-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 110415928
3-N-butyl-1-N-(2,6-difluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056441
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(2,6-difluorophenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975193

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (CID 108979974) is 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1.
What is the InChIKey of 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is MJXJTVAIRYWCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c1-3-4-10-20(2)15(22)16(8-9-16)14(21)19-13-11(17)6-5-7-12(13)18/h5-7H,3-4,8-10H2,1-2H3,(H,19,21).
What are the key properties of 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).