2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide

C21H23ClN2O2 — CID 109142602

IUPAC2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,3)13-8-10-14(11-9-13)23-19(25)15-12-16(15)20(26)24-18-7-5-4-6-17(18)22/h4-11,15-16H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVEPBTEOFHIXYIT-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.85
Rot. Bonds4

About 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142602) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142602
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C21H23ClN2O2/c1-21(2,3)13-8-10-14(11-9-13)23-19(25)15-12-16(15)20(26)24-18-7-5-4-6-17(18)22/h4-11,15-16H,12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyVEPBTEOFHIXYIT-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(2-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142354
1-N-(2-chlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142814
1-N-(2-chlorophenyl)-2-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142847
2-N-(2-chlorophenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142850
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
2-N-(2-chlorophenyl)-1-N-phenylcyclohex-4-ene-1,2-dicarboxamide
CID 18824632
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142627
1-N-(2-chlorophenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141508
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
2-N-(3-chloro-2-methylphenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109143030
methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142583

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide (CID 109142602) is 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VEPBTEOFHIXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-21(2,3)13-8-10-14(11-9-13)23-19(25)15-12-16(15)20(26)24-18-7-5-4-6-17(18)22/h4-11,15-16H,12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).