1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide

C19H19ClN2O2 — CID 108974824

IUPAC1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-13-11-15(20)7-8-16(13)22-18(24)19(9-10-19)17(23)21-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyAHJYSSXOMLGBKH-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.68
Rot. Bonds5

About 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide

1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108974824) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108974824
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H19ClN2O2/c1-13-11-15(20)7-8-16(13)22-18(24)19(9-10-19)17(23)21-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyAHJYSSXOMLGBKH-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.68
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'-(4-chloro-2-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976852
1-N'-(5-chloro-2-methylphenyl)-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976105
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N-benzyl-1-N'-(2-bromo-4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974867
1-N-(4-chloro-2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975428
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
1-N-(3-chloro-2-methylphenyl)-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982631
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806
1-N-(4-chloro-2-methylphenyl)-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108981853
1-N'-(4-chloro-2-methylphenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982777
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-N-[(4-chlorophenyl)methyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976096

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide (CID 108974824) is 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide is Cc1cc(Cl)ccc1NC(=O)C1(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is AHJYSSXOMLGBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-13-11-15(20)7-8-16(13)22-18(24)19(9-10-19)17(23)21-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-benzyl-1-N'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.68, 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'-(4-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).