1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide

C20H20F2N2O2 — CID 109142279

IUPAC1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H20F2N2O2/c1-3-12-7-4-6-11(2)17(12)23-19(25)13-10-14(13)20(26)24-18-15(21)8-5-9-16(18)22/h4-9,13-14H,3,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySAFBGTDLPWYIKI-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.05
Rot. Bonds5

About 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142279) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142279
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H20F2N2O2/c1-3-12-7-4-6-11(2)17(12)23-19(25)13-10-14(13)20(26)24-18-15(21)8-5-9-16(18)22/h4-9,13-14H,3,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySAFBGTDLPWYIKI-UHFFFAOYSA-N
XLogP4.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
2-N-[2-(dimethylamino)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133722
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
2-N-(2-tert-butylphenyl)-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142222
1-N-(2-ethyl-6-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135358
1-N-ethyl-2-N-(2-ethyl-6-methylphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109142141
(1R,2R,4S)-N-(2-ethyl-6-methylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98378388
2-N-[4-(diethylamino)phenyl]-1-N-(2,6-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143951
1-N-(2-ethyl-6-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138006
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140623
2-N-cyclopropyl-1-N-(2,6-diethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109130924
ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142279) is 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide is CCc1cccc(C)c1NC(=O)C1CC1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SAFBGTDLPWYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-3-12-7-4-6-11(2)17(12)23-19(25)13-10-14(13)20(26)24-18-15(21)8-5-9-16(18)22/h4-9,13-14H,3,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,6-difluorophenyl)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 358.39 g/mol, XLogP of 4.05, 5 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)-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).