N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide

C18H16Br2N2O — CID 23474755

IUPACN-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)c3ccc(Br)cc3Br)cc2c1C
InChIInChI=1S/C18H16Br2N2O/c1-10-11(2)21-16-6-4-12(8-14(10)16)18(23)22(3)17-7-5-13(19)9-15(17)20/h4-9,21H,1-3H3
InChIKeyQRDVJXQYJSVYIX-UHFFFAOYSA-N
MW436.15 g/mol
LogP5.59
Rot. Bonds2

About N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide

N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide (PubChem CID 23474755) has the molecular formula C18H16Br2N2O and a molecular weight of 436.15 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
PubChem CID23474755
Molecular FormulaC18H16Br2N2O
Molecular Weight436.15 g/mol
Exact Mass433.96
IUPAC NameN-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)c3ccc(Br)cc3Br)cc2c1C
InChIInChI=1S/C18H16Br2N2O/c1-10-11(2)21-16-6-4-12(8-14(10)16)18(23)22(3)17-7-5-13(19)9-15(17)20/h4-9,21H,1-3H3
InChIKeyQRDVJXQYJSVYIX-UHFFFAOYSA-N
XLogP5.59
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.15
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide (CID 23474755) is N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)c3ccc(Br)cc3Br)cc2c1C.
What is the InChIKey of N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
The InChIKey is QRDVJXQYJSVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Br2N2O/c1-10-11(2)21-16-6-4-12(8-14(10)16)18(23)22(3)17-7-5-13(19)9-15(17)20/h4-9,21H,1-3H3.
What are the key properties of N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide?
N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide has a molecular weight of 436.15 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-N,2,3-trimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 23474755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).