1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

C20H21ClN2O2 — CID 109142356

IUPAC1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-12(2)13-3-7-15(8-4-13)22-19(24)17-11-18(17)20(25)23-16-9-5-14(21)6-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySQXBFMQWELJVPI-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.68
Rot. Bonds5

About 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142356) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142356
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN2O2/c1-12(2)13-3-7-15(8-4-13)22-19(24)17-11-18(17)20(25)23-16-9-5-14(21)6-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySQXBFMQWELJVPI-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.68
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-(3-methylphenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141020
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
1-N-tert-butyl-2-N-(4-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139614
trans-(1S,2R)-N-(4-chlorophenyl)-2-(3-methylbutyl)cyclopropane-1-carboxamide
CID 746777
3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3561187
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
2-N-(4-chlorophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140926
1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
methyl 2-[[2-[(4-propan-2-ylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142383
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109142356) is 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is CC(C)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is SQXBFMQWELJVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12(2)13-3-7-15(8-4-13)22-19(24)17-11-18(17)20(25)23-16-9-5-14(21)6-10-16/h3-10,12,17-18H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).