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

C15H12ClN5O2 — CID 862139

IUPACN-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-6-5-11(16)8-13(14)18-15(22)10-3-2-4-12(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyRGWXOGSVWRDXEI-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.58
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 862139) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID862139
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H12ClN5O2/c1-23-14-6-5-11(16)8-13(14)18-15(22)10-3-2-4-12(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22)
InChIKeyRGWXOGSVWRDXEI-UHFFFAOYSA-N
XLogP2.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-(2,5-dichlorophenyl)-3-(tetrazol-1-yl)benzamide
CID 16648846
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 18081318
N-(4,5-dimethoxy-2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26209349
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(5-chloro-2-methoxyphenyl)-4,5-dimethyl-2-(tetrazol-1-yl)thiophene-3-carboxamide
CID 51044801
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
N-(2-fluoro-5-methylsulfonylphenyl)-3-(tetrazol-1-yl)benzamide
CID 31930638
3-(difluoromethoxy)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methoxybenzamide
CID 51123666

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide (CID 862139) is N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide is COc1ccc(Cl)cc1NC(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is RGWXOGSVWRDXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-23-14-6-5-11(16)8-13(14)18-15(22)10-3-2-4-12(7-10)21-9-17-19-20-21/h2-9H,1H3,(H,18,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide?
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 329.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 862139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).