1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C21H24ClN3O2 — CID 108977816

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-25(15-9-17-6-12-23-13-7-17)20(27)21(10-11-21)19(26)24-14-8-16-2-4-18(22)5-3-16/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,26)
InChIKeyOORXOZCULPRDHK-UHFFFAOYSA-N
MW385.90 g/mol
LogP2.88
Rot. Bonds8

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

1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977816) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977816
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-25(15-9-17-6-12-23-13-7-17)20(27)21(10-11-21)19(26)24-14-8-16-2-4-18(22)5-3-16/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,26)
InChIKeyOORXOZCULPRDHK-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977917
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977845
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979867
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-(2-pyridin-4-ylethyl)urea
CID 108989264
1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108977470
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108977816) is 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CN(CCc1ccncc1)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OORXOZCULPRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-25(15-9-17-6-12-23-13-7-17)20(27)21(10-11-21)19(26)24-14-8-16-2-4-18(22)5-3-16/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,26).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).