N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

C17H16ClN5O3 — CID 650380

IUPACN-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC
InChIInChI=1S/C17H16ClN5O3/c1-10-4-5-11(18)6-13(10)20-17(24)12-7-15(25-2)16(26-3)8-14(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24)
InChIKeyIQTBXXNFTRWPIV-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.89
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (PubChem CID 650380) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
PubChem CID650380
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC NameN-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC
InChIInChI=1S/C17H16ClN5O3/c1-10-4-5-11(18)6-13(10)20-17(24)12-7-15(25-2)16(26-3)8-14(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24)
InChIKeyIQTBXXNFTRWPIV-UHFFFAOYSA-N
XLogP2.89
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (CID 650380) is N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is COc1cc(C(=O)Nc2cc(Cl)ccc2C)c(-n2cnnn2)cc1OC.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The InChIKey is IQTBXXNFTRWPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-10-4-5-11(18)6-13(10)20-17(24)12-7-15(25-2)16(26-3)8-14(12)23-9-19-21-22-23/h4-9H,1-3H3,(H,20,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide has a molecular weight of 373.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).