(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C18H18FN5O — CID 33195281

IUPAC(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCc1ccccc1F)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H18FN5O/c19-16-9-5-4-8-15(16)10-11-20-18(25)17(24-13-21-22-23-24)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,20,25)/t17-/m0/s1
InChIKeyXAXLONDEVFIBBD-KRWDZBQOSA-N
MW339.37 g/mol
LogP1.95
Rot. Bonds7

About (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 33195281) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID33195281
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESO=C(NCCc1ccccc1F)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C18H18FN5O/c19-16-9-5-4-8-15(16)10-11-20-18(25)17(24-13-21-22-23-24)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,20,25)/t17-/m0/s1
InChIKeyXAXLONDEVFIBBD-KRWDZBQOSA-N
XLogP1.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[2-(4-methoxyphenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51054807
(2R)-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 97052008
(2R)-N-[(3-fluorophenyl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94048317
N-(2,2-diphenylpropyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 24653885
3-phenyl-2-(tetrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propanamide
CID 91791500
3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-2-(tetrazol-1-yl)propanamide
CID 46447445
N-(2-fluoro-4-methylphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229787
N-(2,4-difluorophenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229552
(2R)-N-(2-indol-1-ylethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 124860255
(2S)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814887
(2R)-N-(furan-2-ylmethyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 94814888
N-(2-fluoro-4-hydroxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 86798495

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 33195281) is (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is O=C(NCCc1ccccc1F)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is XAXLONDEVFIBBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-16-9-5-4-8-15(16)10-11-20-18(25)17(24-13-21-22-23-24)12-14-6-2-1-3-7-14/h1-9,13,17H,10-12H2,(H,20,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 339.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-fluorophenyl)ethyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 33195281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).