N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

C17H16FN5O2 — CID 3170972

IUPACN-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-25-14-8-2-11(3-9-14)10-15(16-20-22-23-21-16)17(24)19-13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyBMHYYOCNADAPOC-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.31
Rot. Bonds6

About N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide

N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 3170972) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID3170972
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(CC(C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C17H16FN5O2/c1-25-14-8-2-11(3-9-14)10-15(16-20-22-23-21-16)17(24)19-13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyBMHYYOCNADAPOC-UHFFFAOYSA-N
XLogP2.31
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 3170972) is N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(CC(C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is BMHYYOCNADAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-14-8-2-11(3-9-14)10-15(16-20-22-23-21-16)17(24)19-13-6-4-12(18)5-7-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 341.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 3170972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).