1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

C19H18ClFN2O2 — CID 108977390

IUPAC1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClFN2O2/c20-14-5-7-15(8-6-14)23-18(25)19(10-11-19)17(24)22-12-9-13-3-1-2-4-16(13)21/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKeyPLSJIQAXAHLRHQ-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.56
Rot. Bonds6

About 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977390) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977390
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H18ClFN2O2/c20-14-5-7-15(8-6-14)23-18(25)19(10-11-19)17(24)22-12-9-13-3-1-2-4-16(13)21/h1-8H,9-12H2,(H,22,24)(H,23,25)
InChIKeyPLSJIQAXAHLRHQ-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.56
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

ethyl 4-[[1-[2-(2-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108977427
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
1-N'-(3-acetylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977413
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N'-(3,4-difluorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975773
N-[2-(2-fluorophenyl)ethyl]-1-[(E)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80591512
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
1-N',1-N'-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977349

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977390) is 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is O=C(NCCc1ccccc1F)C1(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is PLSJIQAXAHLRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-14-5-7-15(8-6-14)23-18(25)19(10-11-19)17(24)22-12-9-13-3-1-2-4-16(13)21/h1-8H,9-12H2,(H,22,24)(H,23,25).
What are the key properties of 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).