1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

C19H18Cl2N2O2 — CID 108975622

IUPAC1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(12-13-6-3-2-4-7-13)18(25)19(10-11-19)17(24)22-15-9-5-8-14(20)16(15)21/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyPZZRGACOCOVDGS-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.37
Rot. Bonds5

About 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide

1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (PubChem CID 108975622) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
PubChem CID108975622
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C19H18Cl2N2O2/c1-23(12-13-6-3-2-4-7-13)18(25)19(10-11-19)17(24)22-15-9-5-8-14(20)16(15)21/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyPZZRGACOCOVDGS-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.37
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

methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108975598
1-N'-benzyl-1-N-(4-chloro-2-methoxy-5-methylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975623
1-N'-benzyl-1-N'-methyl-1-N-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975586
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
1-N'-benzyl-1-N'-methyl-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108975615
1-N-(2,3-dichlorophenyl)-1-N'-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981367
1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
N-(2,3-dichlorophenyl)-1-methylcyclohexane-1-carboxamide
CID 141000204
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
1-N'-(2,3-dichlorophenyl)-1-N-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108977068

Frequently Asked Questions

What is the IUPAC name of 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide (CID 108975622) is 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is CN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
The InChIKey is PZZRGACOCOVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-23(12-13-6-3-2-4-7-13)18(25)19(10-11-19)17(24)22-15-9-5-8-14(20)16(15)21/h2-9H,10-12H2,1H3,(H,22,24).
What are the key properties of 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide?
1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide has a molecular weight of 377.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-benzyl-1-N-(2,3-dichlorophenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).