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

C18H18FN5O — CID 862574

IUPAC(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H18FN5O/c1-2-12-3-5-13(6-4-12)11-16(17-21-23-24-22-17)18(25)20-15-9-7-14(19)8-10-15/h3-10,16H,2,11H2,1H3,(H,20,25)(H,21,22,23,24)/t16-/m0/s1
InChIKeyWQWOJJFWWCTMKX-INIZCTEOSA-N
MW339.37 g/mol
LogP2.87
Rot. Bonds6

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

(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862574) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862574
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCCc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1
InChIInChI=1S/C18H18FN5O/c1-2-12-3-5-13(6-4-12)11-16(17-21-23-24-22-17)18(25)20-15-9-7-14(19)8-10-15/h3-10,16H,2,11H2,1H3,(H,20,25)(H,21,22,23,24)/t16-/m0/s1
InChIKeyWQWOJJFWWCTMKX-INIZCTEOSA-N
XLogP2.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-ethylphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171026
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
(2R)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174955
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
(2S)-3-(4-hydroxy-3-methoxyphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 862580

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862574) is (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide is CCc1ccc(C[C@H](C(=O)Nc2ccc(F)cc2)c2nn[nH]n2)cc1.
What is the InChIKey of (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is WQWOJJFWWCTMKX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN5O/c1-2-12-3-5-13(6-4-12)11-16(17-21-23-24-22-17)18(25)20-15-9-7-14(19)8-10-15/h3-10,16H,2,11H2,1H3,(H,20,25)(H,21,22,23,24)/t16-/m0/s1.
What are the key properties of (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).