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

C17H16FN5O2 — CID 862483

IUPAC(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O2/c1-25-14-4-2-3-11(9-14)10-15(16-20-22-23-21-16)17(24)19-13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t15-/m0/s1
InChIKeyZXLIKULBOMFUQM-HNNXBMFYSA-N
MW341.35 g/mol
LogP2.31
Rot. Bonds6

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

(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862483) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862483
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1cccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O2/c1-25-14-4-2-3-11(9-14)10-15(16-20-22-23-21-16)17(24)19-13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t15-/m0/s1
InChIKeyZXLIKULBOMFUQM-HNNXBMFYSA-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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Related Compounds

3-(3-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3750555
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862574
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
3-(2,3-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171040
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862483) is (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1cccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)c1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is ZXLIKULBOMFUQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-14-4-2-3-11(9-14)10-15(16-20-22-23-21-16)17(24)19-13-7-5-12(18)6-8-13/h2-9,15H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t15-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-N-(4-fluorophenyl)-3-(3-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 (2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).