1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide

C18H24Cl2N2O2 — CID 108979867

IUPAC1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-4-11-22(2)17(24)18(8-9-18)16(23)21-10-7-13-5-6-14(19)12-15(13)20/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,23)
InChIKeyUVQWIIWBSHRHEB-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.69
Rot. Bonds8

About 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide

1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108979867) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
PubChem CID108979867
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCCCCN(C)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-4-11-22(2)17(24)18(8-9-18)16(23)21-10-7-13-5-6-14(19)12-15(13)20/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,23)
InChIKeyUVQWIIWBSHRHEB-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
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'-butyl-1-N'-methyl-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970270
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
1-N'-butyl-1-N-[2-(dimethylamino)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108973461
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108980409
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
1-N'-butyl-1-N-(2,6-difluorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108979974
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
1-amino-N-[3-(2,4-dichlorophenyl)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119813570
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 113198580

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide (CID 108979867) is 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide is CCCCN(C)C(=O)C1(C(=O)NCCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is UVQWIIWBSHRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-3-4-11-22(2)17(24)18(8-9-18)16(23)21-10-7-13-5-6-14(19)12-15(13)20/h5-6,12H,3-4,7-11H2,1-2H3,(H,21,23).
What are the key properties of 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide?
1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 371.31 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]-1-N'-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).