ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate

C17H16FN5O2 — CID 135372168

IUPACethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O2/c1-2-25-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)19-13-9-7-12(18)8-10-13/h3-10,19H,2,11H2,1H3
InChIKeyYAZWAOWYQUOODO-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.79
Rot. Bonds6

About ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate

ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate (PubChem CID 135372168) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate
PubChem CID135372168
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Nameethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate
SMILESCCOC(=O)Cn1nnc(-c2ccccc2Nc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN5O2/c1-2-25-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)19-13-9-7-12(18)8-10-13/h3-10,19H,2,11H2,1H3
InChIKeyYAZWAOWYQUOODO-UHFFFAOYSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2436905
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
2-(5-(2-((3-fluorophenyl)amino)phenyl)-2H-tetrazol-2-yl)ethanol
CID 135371774
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
2-[5-[4-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372104
3-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372120
2-[2-(2-methoxycyclopentyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372121
2-[5-[4-Methyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372176
1-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-2-ol
CID 135372198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate (CID 135372168) is ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate is CCOC(=O)Cn1nnc(-c2ccccc2Nc2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate?
The InChIKey is YAZWAOWYQUOODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-25-16(24)11-23-21-17(20-22-23)14-5-3-4-6-15(14)19-13-9-7-12(18)8-10-13/h3-10,19H,2,11H2,1H3.
What are the key properties of ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate?
ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate has a molecular weight of 341.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[2-(4-fluoroanilino)phenyl]tetrazol-2-yl]acetate is sourced from PubChem (CID 135372168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).