N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide

C17H17N5O2 — CID 4880088

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-24-16-7-5-13(6-8-16)9-10-18-17(23)14-3-2-4-15(11-14)22-12-19-20-21-22/h2-8,11-12H,9-10H2,1H3,(H,18,23)
InChIKeyTWQVFIOWQBFYIQ-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 4880088) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
PubChem CID4880088
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H17N5O2/c1-24-16-7-5-13(6-8-16)9-10-18-17(23)14-3-2-4-15(11-14)22-12-19-20-21-22/h2-8,11-12H,9-10H2,1H3,(H,18,23)
InChIKeyTWQVFIOWQBFYIQ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide (CID 4880088) is N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide is COc1ccc(CCNC(=O)c2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is TWQVFIOWQBFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-16-7-5-13(6-8-16)9-10-18-17(23)14-3-2-4-15(11-14)22-12-19-20-21-22/h2-8,11-12H,9-10H2,1H3,(H,18,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(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-(4-methoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 4880088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).