N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

C20H20N2O — CID 113209170

IUPACN-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C20H20N2O/c1-13-7-8-17(14(2)11-13)22-19(23)20(9-10-20)16-12-21-18-6-4-3-5-15(16)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyDUUOGXSDRCEYAI-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.46
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide

N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (PubChem CID 113209170) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
PubChem CID113209170
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C20H20N2O/c1-13-7-8-17(14(2)11-13)22-19(23)20(9-10-20)16-12-21-18-6-4-3-5-15(16)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23)
InChIKeyDUUOGXSDRCEYAI-UHFFFAOYSA-N
XLogP4.46
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-(2-bromo-4-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210874
N-(4-bromo-2-methylphenyl)-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210875
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 113211162
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide (CID 113209170) is N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is DUUOGXSDRCEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-13-7-8-17(14(2)11-13)22-19(23)20(9-10-20)16-12-21-18-6-4-3-5-15(16)18/h3-8,11-12,21H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide?
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).