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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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-{[4-(1H-1,2,4-triazol-1-yl)phenyl]formamido}propanamide
CID 23648339
N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
4-[5-(4-ethylphenoxy)-1H-tetrazol-1-yl]benzamide
CID 934907
N-(5-tert-butyl-2-methoxyphenyl)-2-(tetrazol-1-yl)benzamide
CID 8442329
(E)-3-(3-hydroxy-4-methoxyphenyl)-1-[3-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 8814115
N-(2-(4-Methoxyphenyl)ethyl)-2-((1-phenyl-1H-tetraazol-5-YL)thio)acetamide
CID 985316
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-Methoxy-phenyl)-3-tetrazol-1-yl-benzamide
CID 644455
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
2-acetamido-3-(4-methoxyphenyl)-N-[1-(1-phenyl-5-tetrazolyl)-4-piperidinyl]propanamide
CID 652603

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).