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

C20H21BrN2O — CID 110501716

IUPACN-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Br)cc1)n2CC
InChIInChI=1S/C20H21BrN2O/c1-4-14-6-11-18-17(12-14)13(3)19(23(18)5-2)20(24)22-16-9-7-15(21)8-10-16/h6-12H,4-5H2,1-3H3,(H,22,24)
InChIKeyVZCIPAHHHKSCAB-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.55
Rot. Bonds4

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

N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide (PubChem CID 110501716) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
PubChem CID110501716
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC NameN-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Br)cc1)n2CC
InChIInChI=1S/C20H21BrN2O/c1-4-14-6-11-18-17(12-14)13(3)19(23(18)5-2)20(24)22-16-9-7-15(21)8-10-16/h6-12H,4-5H2,1-3H3,(H,22,24)
InChIKeyVZCIPAHHHKSCAB-UHFFFAOYSA-N
XLogP5.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.55
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

ethyl 4-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501627
N-(2-bromo-4-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501795
5-ethoxy-1-ethyl-N-(4-ethylphenyl)-3-methylindole-2-carboxamide
CID 110502331
3-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501677
1,5-diethyl-3-methyl-N-pyridin-3-ylindole-2-carboxamide
CID 110501801
N-(2,4-dimethylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501710
2-[(1,5-diethyl-3-methylindole-2-carbonyl)amino]benzoic acid
CID 110501763
N-(4-chloro-2-methylphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501629
1,5-diethyl-N-(2-hydroxypropyl)-3-methylindole-2-carboxamide
CID 110497470
1,5-diethyl-3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]indole-2-carboxamide
CID 110501633
1,5-diethyl-N-(2-methoxyphenyl)-3-methylindole-2-carboxamide
CID 110501729
N-(2-ethoxyphenyl)-1,5-diethyl-3-methylindole-2-carboxamide
CID 110501681

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide (CID 110501716) is N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide is CCc1ccc2c(c1)c(C)c(C(=O)Nc1ccc(Br)cc1)n2CC.
What is the InChIKey of N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
The InChIKey is VZCIPAHHHKSCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-4-14-6-11-18-17(12-14)13(3)19(23(18)5-2)20(24)22-16-9-7-15(21)8-10-16/h6-12H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide?
N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide has a molecular weight of 385.31 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1,5-diethyl-3-methylindole-2-carboxamide is sourced from PubChem (CID 110501716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).