1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

C20H20Cl2N2O2 — CID 108976073

IUPAC1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-6-4-15(5-7-16)13-24-19(26)20(9-10-20)18(25)23-11-8-14-2-1-3-17(22)12-14/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyGPPLZEIZFNVZTH-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.75
Rot. Bonds7

About 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108976073) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108976073
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESO=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-6-4-15(5-7-16)13-24-19(26)20(9-10-20)18(25)23-11-8-14-2-1-3-17(22)12-14/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26)
InChIKeyGPPLZEIZFNVZTH-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.75
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-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975823
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977360
1-N'-[2-(3-chlorophenyl)ethyl]-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973789
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974930
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-fluorophenyl)methyl]oxamide
CID 108984928
1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 108901405
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113215461
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
CID 113214484
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108976073) is 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is O=C(NCCc1cccc(Cl)c1)C1(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is GPPLZEIZFNVZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-6-4-15(5-7-16)13-24-19(26)20(9-10-20)18(25)23-11-8-14-2-1-3-17(22)12-14/h1-7,12H,8-11,13H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 391.30 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).