1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

C21H22ClFN2O2 — CID 108977360

IUPAC1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-3-4-15(14-17)8-12-24-19(26)21(10-11-21)20(27)25-13-9-16-5-1-2-7-18(16)23/h1-7,14H,8-13H2,(H,24,26)(H,25,27)
InChIKeyWCOWXWMGSYIYMP-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.28
Rot. Bonds8

About 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977360) has the molecular formula C21H22ClFN2O2 and a molecular weight of 388.87 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977360
Molecular FormulaC21H22ClFN2O2
Molecular Weight388.87 g/mol
Exact Mass388.14
IUPAC Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C21H22ClFN2O2/c22-17-6-3-4-15(14-17)8-12-24-19(26)21(10-11-21)20(27)25-13-9-16-5-1-2-7-18(16)23/h1-7,14H,8-13H2,(H,24,26)(H,25,27)
InChIKeyWCOWXWMGSYIYMP-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
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-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975823
2-N-[2-(3-chlorophenyl)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137606
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-[2-(2-fluorophenyl)ethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591512
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-N'-(3-acetylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977413
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8599706
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977360) is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is O=C(NCCc1cccc(Cl)c1)C1(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is WCOWXWMGSYIYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2/c22-17-6-3-4-15(14-17)8-12-24-19(26)21(10-11-21)20(27)25-13-9-16-5-1-2-7-18(16)23/h1-7,14H,8-13H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 388.87 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).