methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate

C17H15N5O4 — CID 11405500

IUPACmethyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H15N5O4/c1-25-17(24)12-5-7-13(8-6-12)19-16(23)10-26-15-4-2-3-14(9-15)22-11-18-20-21-22/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyIPCZXTCBCUSZAY-UHFFFAOYSA-N
MW353.34 g/mol
LogP1.47
Rot. Bonds6

About methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate

methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate (PubChem CID 11405500) has the molecular formula C17H15N5O4 and a molecular weight of 353.34 g/mol. Its IUPAC name is methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
PubChem CID11405500
Molecular FormulaC17H15N5O4
Molecular Weight353.34 g/mol
Exact Mass353.11
IUPAC Namemethyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C17H15N5O4/c1-25-17(24)12-5-7-13(8-6-12)19-16(23)10-26-15-4-2-3-14(9-15)22-11-18-20-21-22/h2-9,11H,10H2,1H3,(H,19,23)
InChIKeyIPCZXTCBCUSZAY-UHFFFAOYSA-N
XLogP1.47
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864036
N-(3-methoxyphenyl)-2-[3-(1H-tetraazol-1-yl)phenoxy]acetamide
CID 1140121
N-(3-methoxyphenyl)-4-(tetrazol-1-yl)benzamide
CID 764196
N-(4-Ethyl-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 864037
N-(4-ethoxyphenyl)-4-(1H-1,2,3,4-tetrazol-1-yl)benzamide
CID 747770
N-(4-ethoxyphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 648414
4-{5-[(2-Ethoxy-phenylcarbamoyl)-methylsulfanyl]-tetrazol-1-yl}-benzoic acid methyl ester
CID 653523
N-(4-Methyl-3-nitro-phenyl)-2-(3-tetrazol-1-yl-phenoxy)-acetamide
CID 1132956
ethyl 4-({[4-(1H-tetrazol-1-yl)phenoxy]acetyl}amino)benzoate
CID 1259832
[2-(2,5-Dimethoxyanilino)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate
CID 2571257
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2999768
Propan-2-yl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 9503432

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate (CID 11405500) is methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
The InChIKey is IPCZXTCBCUSZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O4/c1-25-17(24)12-5-7-13(8-6-12)19-16(23)10-26-15-4-2-3-14(9-15)22-11-18-20-21-22/h2-9,11H,10H2,1H3,(H,19,23).
What are the key properties of methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate?
methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate has a molecular weight of 353.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[3-(tetrazol-1-yl)phenoxy]acetyl]amino]benzoate is sourced from PubChem (CID 11405500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).