1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C17H12Cl4N2O2 — CID 155683538

IUPAC1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H12Cl4N2O2/c18-9-1-3-11(20)13(7-9)22-15(24)17(5-6-17)16(25)23-14-8-10(19)2-4-12(14)21/h1-4,7-8H,5-6H2,(H,22,24)(H,23,25)
InChIKeyHKCKFCHKJBQMEO-UHFFFAOYSA-N
MW418.11 g/mol
LogP5.66
Rot. Bonds4

About 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 155683538) has the molecular formula C17H12Cl4N2O2 and a molecular weight of 418.11 g/mol. Its IUPAC name is 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID155683538
Molecular FormulaC17H12Cl4N2O2
Molecular Weight418.11 g/mol
Exact Mass415.97
IUPAC Name1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)C1(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H12Cl4N2O2/c18-9-1-3-11(20)13(7-9)22-15(24)17(5-6-17)16(25)23-14-8-10(19)2-4-12(14)21/h1-4,7-8H,5-6H2,(H,22,24)(H,23,25)
InChIKeyHKCKFCHKJBQMEO-UHFFFAOYSA-N
XLogP5.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.11
LogP ≤ 55.66
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'-(2,5-dichlorophenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981442
1-N-(4-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983806
1-N-(2,5-dichlorophenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979145
1-N-(3-cyanophenyl)-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983805
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108972648
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N-(5-chloro-2-methylphenyl)-1-N'-(2,6-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981552
1-[(4-chloro-2-fluorophenyl)carbamoyl]cyclopropane-1-carbonyl chloride
CID 87344821
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 155683538) is 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide is O=C(Nc1cc(Cl)ccc1Cl)C1(C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HKCKFCHKJBQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2O2/c18-9-1-3-11(20)13(7-9)22-15(24)17(5-6-17)16(25)23-14-8-10(19)2-4-12(14)21/h1-4,7-8H,5-6H2,(H,22,24)(H,23,25).
What are the key properties of 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 418.11 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155683538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).