N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide

C14H9BrClN5O — CID 28934869

IUPACN-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-2-1-3-10(6-9)18-14(22)12-7-11(4-5-13(12)16)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyPSNJTCAPJLMWEU-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.33
Rot. Bonds3

About N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide

N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide (PubChem CID 28934869) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
PubChem CID28934869
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC NameN-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H9BrClN5O/c15-9-2-1-3-10(6-9)18-14(22)12-7-11(4-5-13(12)16)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyPSNJTCAPJLMWEU-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

5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
3-[[2-chloro-5-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6955830
2,3-dichloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729277
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 135653875
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
4-bromo-N-(3-bromophenyl)-2-chlorobenzamide
CID 43805502
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide (CID 28934869) is N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide is O=C(Nc1cccc(Br)c1)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide?
The InChIKey is PSNJTCAPJLMWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-9-2-1-3-10(6-9)18-14(22)12-7-11(4-5-13(12)16)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide?
N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)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 N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 28934869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).