N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide

C21H23ClN2O — CID 110501629

IUPACN-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Cl)cc1C)n2CC
InChIInChI=1S/C21H23ClN2O/c1-5-15-7-10-19-17(12-15)14(4)20(24(19)6-2)21(25)23-18-9-8-16(22)11-13(18)3/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeyRAEGEMZSMRYKPX-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.75
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide

N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide (PubChem CID 110501629) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
PubChem CID110501629
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC NameN-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Cl)cc1C)n2CC
InChIInChI=1S/C21H23ClN2O/c1-5-15-7-10-19-17(12-15)14(4)20(24(19)6-2)21(25)23-18-9-8-16(22)11-13(18)3/h7-12H,5-6H2,1-4H3,(H,23,25)
InChIKeyRAEGEMZSMRYKPX-UHFFFAOYSA-N
XLogP5.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729
5-chloro-N-(3,5-dichlorophenyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502070
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681
1,5-diethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 110501721
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501716
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
5-chloro-N-(2-chloro-3-pyridinyl)-1-ethyl-3-methylindole-2-carboxamide
CID 110502209
ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide (CID 110501629) is N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Cl)cc1C)n2CC.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The InChIKey is RAEGEMZSMRYKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-5-15-7-10-19-17(12-15)14(4)20(24(19)6-2)21(25)23-18-9-8-16(22)11-13(18)3/h7-12H,5-6H2,1-4H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide has a molecular weight of 354.88 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).