N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide

C14H10BrN5O — CID 862152

IUPACN-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H10BrN5O/c15-11-4-6-12(7-5-11)17-14(21)10-2-1-3-13(8-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyHIKRKFWWIFACIF-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.68
Rot. Bonds3

About N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide

N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 862152) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID862152
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC NameN-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H10BrN5O/c15-11-4-6-12(7-5-11)17-14(21)10-2-1-3-13(8-10)20-9-16-18-19-20/h1-9H,(H,17,21)
InChIKeyHIKRKFWWIFACIF-UHFFFAOYSA-N
XLogP2.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide (CID 862152) is N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(Br)cc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is HIKRKFWWIFACIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-11-4-6-12(7-5-11)17-14(21)10-2-1-3-13(8-10)20-9-16-18-19-20/h1-9H,(H,17,21).
What are the key properties of N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide?
N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 344.17 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 862152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).