1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

C21H23ClN2O2 — CID 108974930

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-17(15)14-24-20(26)21(11-12-21)19(25)23-13-10-16-6-8-18(22)9-7-16/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIDUMWRKGRVSUFT-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.40
Rot. Bonds7

About 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108974930) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108974930
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-17(15)14-24-20(26)21(11-12-21)19(25)23-13-10-16-6-8-18(22)9-7-16/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyIDUMWRKGRVSUFT-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.40
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,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N-[2-(cyclohexen-1-yl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108972518
1-[(4-chlorophenyl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108897128
1-N-[3-(dimethylamino)propyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108973730
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971222
1-N-[2-(3-chlorophenyl)ethyl]-1-N'-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976073
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965
1-N'-(2-tert-butylphenyl)-1-N-[2-(4-chlorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108978388
1-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-N'-(2,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974964

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108974930) is 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is Cc1ccccc1CNC(=O)C1(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is IDUMWRKGRVSUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-4-2-3-5-17(15)14-24-20(26)21(11-12-21)19(25)23-13-10-16-6-8-18(22)9-7-16/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108974930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).