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

C19H17Cl2FN2O2 — CID 108980409

IUPAC1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN2O2/c20-13-2-1-12(16(21)11-13)7-10-23-17(25)19(8-9-19)18(26)24-15-5-3-14(22)4-6-15/h1-6,11H,7-10H2,(H,23,25)(H,24,26)
InChIKeyLGFQXFHCUYHMHZ-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.21
Rot. Bonds6

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

1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108980409) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108980409
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C19H17Cl2FN2O2/c20-13-2-1-12(16(21)11-13)7-10-23-17(25)19(8-9-19)18(26)24-15-5-3-14(22)4-6-15/h1-6,11H,7-10H2,(H,23,25)(H,24,26)
InChIKeyLGFQXFHCUYHMHZ-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.21
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'-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977390
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988923
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977531
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975823
1-N'-(1,3-benzodioxol-5-yl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978412
1-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977536
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108980409) is 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is O=C(NCCc1ccc(Cl)cc1Cl)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is LGFQXFHCUYHMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c20-13-2-1-12(16(21)11-13)7-10-23-17(25)19(8-9-19)18(26)24-15-5-3-14(22)4-6-15/h1-6,11H,7-10H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).