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

C15H19ClN2O2 — CID 109139614

IUPAC1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)18-14(20)12-8-11(12)13(19)17-10-6-4-9(16)5-7-10/h4-7,11-12H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGNYQLUYYMNIRDZ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.83
Rot. Bonds3

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

1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139614) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139614
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O2/c1-15(2,3)18-14(20)12-8-11(12)13(19)17-10-6-4-9(16)5-7-10/h4-7,11-12H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyGNYQLUYYMNIRDZ-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139589
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
1-N-tert-butyl-2-N-(3,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139691
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
2-N-(4-chlorophenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141594
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
1-N-(3-chloro-4-methoxyphenyl)-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142934

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide (CID 109139614) is 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CC1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is GNYQLUYYMNIRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-15(2,3)18-14(20)12-8-11(12)13(19)17-10-6-4-9(16)5-7-10/h4-7,11-12H,8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).