7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide

C16H12BrN7O — CID 67551838

IUPAC7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C16H12BrN7O/c17-9-4-5-12(10(7-9)15-21-23-24-22-15)20-16(25)13-6-8-2-1-3-11(18)14(8)19-13/h1-7,19H,18H2,(H,20,25)(H,21,22,23,24)
InChIKeyRZMNYTKAVGTWDM-UHFFFAOYSA-N
MW398.22 g/mol
LogP2.94
Rot. Bonds3

About 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide

7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 67551838) has the molecular formula C16H12BrN7O and a molecular weight of 398.22 g/mol. Its IUPAC name is 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID67551838
Molecular FormulaC16H12BrN7O
Molecular Weight398.22 g/mol
Exact Mass397.03
IUPAC Name7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESNc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12
InChIInChI=1S/C16H12BrN7O/c17-9-4-5-12(10(7-9)15-21-23-24-22-15)20-16(25)13-6-8-2-1-3-11(18)14(8)19-13/h1-7,19H,18H2,(H,20,25)(H,21,22,23,24)
InChIKeyRZMNYTKAVGTWDM-UHFFFAOYSA-N
XLogP2.94
TPSA125.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide (CID 67551838) is 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide is Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)[nH]c12.
What is the InChIKey of 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is RZMNYTKAVGTWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN7O/c17-9-4-5-12(10(7-9)15-21-23-24-22-15)20-16(25)13-6-8-2-1-3-11(18)14(8)19-13/h1-7,19H,18H2,(H,20,25)(H,21,22,23,24).
What are the key properties of 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 398.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67551838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).