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

C17H18N2O — CID 46216649

IUPACN-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H18N2O/c1-11-7-8-12(2)15(9-11)19-17(20)16-10-13-5-3-4-6-14(13)18-16/h3-9,16,18H,10H2,1-2H3,(H,19,20)
InChIKeyPMCQFCYTBDJDDL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.28
Rot. Bonds2

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

N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 46216649) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID46216649
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2Cc3ccccc3N2)c1
InChIInChI=1S/C17H18N2O/c1-11-7-8-12(2)15(9-11)19-17(20)16-10-13-5-3-4-6-14(13)18-16/h3-9,16,18H,10H2,1-2H3,(H,19,20)
InChIKeyPMCQFCYTBDJDDL-UHFFFAOYSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 46216649) is N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(C)c(NC(=O)C2Cc3ccccc3N2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is PMCQFCYTBDJDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-7-8-12(2)15(9-11)19-17(20)16-10-13-5-3-4-6-14(13)18-16/h3-9,16,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 46216649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).