N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide

C19H20N2O — CID 84578289

IUPACN-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H20N2O/c1-11-6-8-16-15(9-11)14(4)18(20-16)19(22)21-17-10-12(2)5-7-13(17)3/h5-10,20H,1-4H3,(H,21,22)
InChIKeyRBMZLISHLVHRHX-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.65
Rot. Bonds2

About N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide

N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide (PubChem CID 84578289) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
PubChem CID84578289
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1
InChIInChI=1S/C19H20N2O/c1-11-6-8-16-15(9-11)14(4)18(20-16)19(22)21-17-10-12(2)5-7-13(17)3/h5-10,20H,1-4H3,(H,21,22)
InChIKeyRBMZLISHLVHRHX-UHFFFAOYSA-N
XLogP4.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
3,5-dimethyl-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 84578399
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
5-chloro-N-(2,5-dimethylphenyl)-1H-indole-2-carboxamide
CID 113207220
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204253
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578480
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
N-(2,5-dimethylphenyl)-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110857329

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide (CID 84578289) is N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide is Cc1ccc(C)c(NC(=O)c2[nH]c3ccc(C)cc3c2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
The InChIKey is RBMZLISHLVHRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-11-6-8-16-15(9-11)14(4)18(20-16)19(22)21-17-10-12(2)5-7-13(17)3/h5-10,20H,1-4H3,(H,21,22).
What are the key properties of N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide?
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 4.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 84578289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).