N-(4-bromophenyl)-1H-indole-2-carboxamide

C15H11BrN2O — CID 29199609

IUPACN-(4-bromophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-5-7-12(8-6-11)17-15(19)14-9-10-3-1-2-4-13(10)18-14/h1-9,18H,(H,17,19)
InChIKeyOOCYBIUSZGYOHF-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.18
Rot. Bonds2

About N-(4-bromophenyl)-1H-indole-2-carboxamide

N-(4-bromophenyl)-1H-indole-2-carboxamide (PubChem CID 29199609) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1H-indole-2-carboxamide
PubChem CID29199609
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC NameN-(4-bromophenyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H11BrN2O/c16-11-5-7-12(8-6-11)17-15(19)14-9-10-3-1-2-4-13(10)18-14/h1-9,18H,(H,17,19)
InChIKeyOOCYBIUSZGYOHF-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1H-indole-2-carboxamide (CID 29199609) is N-(4-bromophenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(4-bromophenyl)-1H-indole-2-carboxamide?
The InChIKey is OOCYBIUSZGYOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-5-7-12(8-6-11)17-15(19)14-9-10-3-1-2-4-13(10)18-14/h1-9,18H,(H,17,19).
What are the key properties of N-(4-bromophenyl)-1H-indole-2-carboxamide?
N-(4-bromophenyl)-1H-indole-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 29199609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).