1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide

C18H16Cl2N2O2 — CID 108974881

IUPAC1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(24)18(8-9-18)16(23)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyBWVXKURYXLFMDQ-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.03
Rot. Bonds5

About 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide

1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974881) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974881
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCc1ccccc1)C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(24)18(8-9-18)16(23)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyBWVXKURYXLFMDQ-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.03
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'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
1-N'-(4-chlorophenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976103
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842
1-N'-(1,3-benzodioxol-5-yl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974870
1-N'-(3-chloro-4-methylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975857
1-N-benzyl-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974834
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974824
1-N'-(3-chloro-4-methoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975139
1-N-[(4-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976318
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976751
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide (CID 108974881) is 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide is O=C(NCc1ccccc1)C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BWVXKURYXLFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-7-6-13(10-15(14)20)22-17(24)18(8-9-18)16(23)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide?
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 363.24 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).