1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C18H15Cl3N2O2 — CID 108982670

IUPAC1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H15Cl3N2O2/c1-10-11(19)4-3-7-14(10)22-16(24)18(8-9-18)17(25)23-15-12(20)5-2-6-13(15)21/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyUSVMLQLPPWKFJY-UHFFFAOYSA-N
MW397.69 g/mol
LogP5.31
Rot. Bonds4

About 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108982670) has the molecular formula C18H15Cl3N2O2 and a molecular weight of 397.69 g/mol. Its IUPAC name is 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108982670
Molecular FormulaC18H15Cl3N2O2
Molecular Weight397.69 g/mol
Exact Mass396.02
IUPAC Name1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H15Cl3N2O2/c1-10-11(19)4-3-7-14(10)22-16(24)18(8-9-18)17(25)23-15-12(20)5-2-6-13(15)21/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25)
InChIKeyUSVMLQLPPWKFJY-UHFFFAOYSA-N
XLogP5.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 55.31
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-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N-(3-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982630
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982506
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286
N-(3-chloro-2-methylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80590922
1-N'-(3-chloro-2-methylphenyl)-1-N-[4-(dimethylamino)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982657
1-N'-(3-chloro-2-methylphenyl)-1-N-[3-(dimethylamino)propyl]cyclopropane-1,1-dicarboxamide
CID 108973822
1-N'-(3-chloro-2-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974651
1-N'-(5-chloro-2-methoxyphenyl)-1-N-(3-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982635
1-N'-(2,6-dichlorophenyl)-1-N-(2,6-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983822
1-N'-(2-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980660

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 108982670) is 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide is Cc1c(Cl)cccc1NC(=O)C1(C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is USVMLQLPPWKFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O2/c1-10-11(19)4-3-7-14(10)22-16(24)18(8-9-18)17(25)23-15-12(20)5-2-6-13(15)21/h2-7H,8-9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 397.69 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2-methylphenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).