2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide

C14H9Cl2N5O2 — CID 135653875

IUPAC2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H9Cl2N5O2/c15-8-1-4-13(22)12(5-8)18-14(23)10-6-9(2-3-11(10)16)21-7-17-19-20-21/h1-7,22H,(H,18,23)
InChIKeyWHUDOMRNZMRUGS-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.93
Rot. Bonds3

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

2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide (PubChem CID 135653875) has the molecular formula C14H9Cl2N5O2 and a molecular weight of 350.17 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
PubChem CID135653875
Molecular FormulaC14H9Cl2N5O2
Molecular Weight350.17 g/mol
Exact Mass349.01
IUPAC Name2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C14H9Cl2N5O2/c15-8-1-4-13(22)12(5-8)18-14(23)10-6-9(2-3-11(10)16)21-7-17-19-20-21/h1-7,22H,(H,18,23)
InChIKeyWHUDOMRNZMRUGS-UHFFFAOYSA-N
XLogP2.93
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(3-bromophenyl)-2-chloro-5-(tetrazol-1-yl)benzamide
CID 28934869
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
N-[2-chloro-5-(tetrazol-1-yl)phenyl]benzamide
CID 45492656
2-chloro-N-(2-methylpropyl)-5-(tetrazol-1-yl)benzamide
CID 42582450
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
N-butan-2-yl-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42650215
N-[(2S)-butan-2-yl]-2-chloro-5-(tetrazol-1-yl)benzamide
CID 42571405
N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbenzamide
CID 50776835
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide (CID 135653875) is 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide is O=C(Nc1cc(Cl)ccc1O)c1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide?
The InChIKey is WHUDOMRNZMRUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O2/c15-8-1-4-13(22)12(5-8)18-14(23)10-6-9(2-3-11(10)16)21-7-17-19-20-21/h1-7,22H,(H,18,23).
What are the key properties of 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide?
2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide has a molecular weight of 350.17 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-hydroxyphenyl)-5-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 135653875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).