N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide

C21H19N5O — CID 49338359

IUPACN-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N5O/c1-3-25(19-10-8-16-6-4-5-7-17(16)13-19)21(27)18-9-11-20(15(2)12-18)26-14-22-23-24-26/h4-14H,3H2,1-2H3
InChIKeyZWCVRIRMKPFQRG-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.79
Rot. Bonds4

About N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide

N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide (PubChem CID 49338359) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide
PubChem CID49338359
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide
SMILESCCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N5O/c1-3-25(19-10-8-16-6-4-5-7-17(16)13-19)21(27)18-9-11-20(15(2)12-18)26-14-22-23-24-26/h4-14H,3H2,1-2H3
InChIKeyZWCVRIRMKPFQRG-UHFFFAOYSA-N
XLogP3.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide (CID 49338359) is N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide is CCN(C(=O)c1ccc(-n2cnnn2)c(C)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide?
The InChIKey is ZWCVRIRMKPFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-3-25(19-10-8-16-6-4-5-7-17(16)13-19)21(27)18-9-11-20(15(2)12-18)26-14-22-23-24-26/h4-14H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide?
N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide has a molecular weight of 357.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-naphthalen-2-yl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 49338359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).