N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide

C18H18N2O — CID 113204258

IUPACN-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3ccccc3c2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-8-9-15(12(2)10-11)20-18(21)17-13(3)14-6-4-5-7-16(14)19-17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyAXRDPEHKPDOBIK-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.35
Rot. Bonds2

About N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide

N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204258) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
PubChem CID113204258
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
SMILESCc1ccc(NC(=O)c2[nH]c3ccccc3c2C)c(C)c1
InChIInChI=1S/C18H18N2O/c1-11-8-9-15(12(2)10-11)20-18(21)17-13(3)14-6-4-5-7-16(14)19-17/h4-10,19H,1-3H3,(H,20,21)
InChIKeyAXRDPEHKPDOBIK-UHFFFAOYSA-N
XLogP4.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.35
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-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(2,5-dimethylphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578289
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-chloro-1H-indole-2-carboxylate
CID 46459567
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide (CID 113204258) is N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2[nH]c3ccccc3c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide?
The InChIKey is AXRDPEHKPDOBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-8-9-15(12(2)10-11)20-18(21)17-13(3)14-6-4-5-7-16(14)19-17/h4-10,19H,1-3H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide?
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).