1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane

C38H42F2N4O4 — CID 159939709

IUPAC1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
SMILESCC.CC.O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(F)cc2)CC1.O=C(Nc1ccccc1)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H14F2N2O2.C17H16N2O2.2C2H6/c18-11-1-5-13(6-2-11)20-15(22)17(9-10-17)16(23)21-14-7-3-12(19)4-8-14;20-15(18-13-7-3-1-4-8-13)17(11-12-17)16(21)19-14-9-5-2-6-10-14;2*1-2/h1-8H,9-10H2,(H,20,22)(H,21,23);1-10H,11-12H2,(H,18,20)(H,19,21);2*1-2H3
InChIKeyOASGOVYGMSFSQJ-UHFFFAOYSA-N
MW656.77 g/mol
LogP8.42
Rot. Bonds8

About 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane

1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane (PubChem CID 159939709) has the molecular formula C38H42F2N4O4 and a molecular weight of 656.77 g/mol. Its IUPAC name is 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane.

Molecular Properties

Compound Name1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
PubChem CID159939709
Molecular FormulaC38H42F2N4O4
Molecular Weight656.77 g/mol
Exact Mass656.32
IUPAC Name1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
SMILESCC.CC.O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(F)cc2)CC1.O=C(Nc1ccccc1)C1(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H14F2N2O2.C17H16N2O2.2C2H6/c18-11-1-5-13(6-2-11)20-15(22)17(9-10-17)16(23)21-14-7-3-12(19)4-8-14;20-15(18-13-7-3-1-4-8-13)17(11-12-17)16(21)19-14-9-5-2-6-10-14;2*1-2/h1-8H,9-10H2,(H,20,22)(H,21,23);1-10H,11-12H2,(H,18,20)(H,19,21);2*1-2H3
InChIKeyOASGOVYGMSFSQJ-UHFFFAOYSA-N
XLogP8.42
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.77
LogP ≤ 58.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
CID 165143774
1-N-(4-fluorophenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982388
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
1-N'-(2-cyanophenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982432
1-fluoro-N-phenylcyclopropane-1-carboxamide
CID 170914538
1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 54306644
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane?
The IUPAC name of 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane (CID 159939709) is 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane.
What is the SMILES notation for 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane?
The canonical SMILES for 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane is CC.CC.O=C(Nc1ccc(F)cc1)C1(C(=O)Nc2ccc(F)cc2)CC1.O=C(Nc1ccccc1)C1(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane?
The InChIKey is OASGOVYGMSFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2.C17H16N2O2.2C2H6/c18-11-1-5-13(6-2-11)20-15(22)17(9-10-17)16(23)21-14-7-3-12(19)4-8-14;20-15(18-13-7-3-1-4-8-13)17(11-12-17)16(21)19-14-9-5-2-6-10-14;2*1-2/h1-8H,9-10H2,(H,20,22)(H,21,23);1-10H,11-12H2,(H,18,20)(H,19,21);2*1-2H3.
What are the key properties of 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane?
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane has a molecular weight of 656.77 g/mol, XLogP of 8.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane is sourced from PubChem (CID 159939709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).