N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide

C14H9BrClN5O — CID 42571314

IUPACN-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C14H9BrClN5O/c15-9-1-4-11(5-2-9)18-14(22)12-6-3-10(16)7-13(12)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyFEIZKCLOPSTEBM-UHFFFAOYSA-N
MW378.62 g/mol
LogP3.33
Rot. Bonds3

About N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide

N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide (PubChem CID 42571314) has the molecular formula C14H9BrClN5O and a molecular weight of 378.62 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
PubChem CID42571314
Molecular FormulaC14H9BrClN5O
Molecular Weight378.62 g/mol
Exact Mass376.97
IUPAC NameN-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1-n1cnnn1
InChIInChI=1S/C14H9BrClN5O/c15-9-1-4-11(5-2-9)18-14(22)12-6-3-10(16)7-13(12)21-8-17-19-20-21/h1-8H,(H,18,22)
InChIKeyFEIZKCLOPSTEBM-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

4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
ethyl 4-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 42582252
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607
5-chloro-N-(4-chlorophenyl)-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87000459
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
4-fluoro-N-(4-propan-2-ylphenyl)-2-(tetrazol-1-yl)benzamide
CID 42568845
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
5-bromo-2-methoxy-N-[4-methoxy-3-(tetrazol-1-yl)phenyl]benzamide
CID 50776873

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide (CID 42571314) is N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(Cl)cc1-n1cnnn1.
What is the InChIKey of N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide?
The InChIKey is FEIZKCLOPSTEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN5O/c15-9-1-4-11(5-2-9)18-14(22)12-6-3-10(16)7-13(12)21-8-17-19-20-21/h1-8H,(H,18,22).
What are the key properties of N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide?
N-(4-bromophenyl)-4-chloro-2-(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-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42571314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).