1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C20H20F2N2O3 — CID 109143638

IUPAC1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H20F2N2O3/c1-11(2)27-14-6-4-13(5-7-14)23-19(25)15-10-16(15)20(26)24-18-8-3-12(21)9-17(18)22/h3-9,11,15-16H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXWCGFGIHHKMWQH-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.97
Rot. Bonds6

About 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143638) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143638
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H20F2N2O3/c1-11(2)27-14-6-4-13(5-7-14)23-19(25)15-10-16(15)20(26)24-18-8-3-12(21)9-17(18)22/h3-9,11,15-16H,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyXWCGFGIHHKMWQH-UHFFFAOYSA-N
XLogP3.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143638) is 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XWCGFGIHHKMWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-11(2)27-14-6-4-13(5-7-14)23-19(25)15-10-16(15)20(26)24-18-8-3-12(21)9-17(18)22/h3-9,11,15-16H,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 374.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).