1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

C19H17Cl2FN2O2 — CID 109137792

IUPAC1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2FN2O2/c20-15-2-1-3-16(17(15)21)24-19(26)14-10-13(14)18(25)23-9-8-11-4-6-12(22)7-5-11/h1-7,13-14H,8-10H2,(H,23,25)(H,24,26)
InChIKeyTWFGNSLJRXQAAC-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.07
Rot. Bonds6

About 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137792) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137792
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C19H17Cl2FN2O2/c20-15-2-1-3-16(17(15)21)24-19(26)14-10-13(14)18(25)23-9-8-11-4-6-12(22)7-5-11/h1-7,13-14H,8-10H2,(H,23,25)(H,24,26)
InChIKeyTWFGNSLJRXQAAC-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139494
N'-(2,3-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]propanediamide
CID 108948495
1-N-(3-chlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137746
1-N-(3-acetamidophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137772
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
1-N-(2,5-dimethoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137764
1-N-(2,3-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136513
1-N-[2-(4-fluorophenyl)ethyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133116
2-N-[3-(dimethylamino)propyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133985
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137792) is 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is O=C(NCCc1ccc(F)cc1)C1CC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is TWFGNSLJRXQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c20-15-2-1-3-16(17(15)21)24-19(26)14-10-13(14)18(25)23-9-8-11-4-6-12(22)7-5-11/h1-7,13-14H,8-10H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 395.26 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,3-dichlorophenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).