5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide

C14H9BrClN5O — CID 40622208

IUPAC5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-1-6-13(16)12(7-9)14(22)18-10-2-4-11(5-3-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyJLMNHYFYIOBBQE-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.33
Rot. Bonds3

About 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 40622208) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID40622208
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC Name5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-1-6-13(16)12(7-9)14(22)18-10-2-4-11(5-3-10)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyJLMNHYFYIOBBQE-UHFFFAOYSA-N
XLogP3.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
CID 28934869
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
2-chloro-4-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 7930073
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729305
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 40622208) is 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is JLMNHYFYIOBBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-9-1-6-13(16)12(7-9)14(22)18-10-2-4-11(5-3-10)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 378.62 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 40622208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).