N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

C17H17N5O2 — CID 51151935

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H17N5O2/c1-24-16-9-5-2-6-13(16)10-11-18-17(23)14-7-3-4-8-15(14)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23)
InChIKeyVKTFYZHHBATJET-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide

N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 51151935) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID51151935
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1-n1cnnn1
InChIInChI=1S/C17H17N5O2/c1-24-16-9-5-2-6-13(16)10-11-18-17(23)14-7-3-4-8-15(14)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23)
InChIKeyVKTFYZHHBATJET-UHFFFAOYSA-N
XLogP1.64
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 51049276
N-[2-(ethylamino)ethyl]-2-(tetrazol-1-yl)benzamide;hydrochloride
CID 119506175
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 78779713
2-(tetrazol-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17412980
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 51151939
N-[2-(1-benzothiophen-3-yl)ethyl]-5-chloro-2-methoxy-4-(tetrazol-1-yl)benzamide
CID 87005767
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
CID 24678149
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 51151935) is N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is COc1ccccc1CCNC(=O)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VKTFYZHHBATJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-16-9-5-2-6-13(16)10-11-18-17(23)14-7-3-4-8-15(14)22-12-19-20-21-22/h2-9,12H,10-11H2,1H3,(H,18,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).