N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

C18H17FN6O — CID 167846449

IUPACN-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1F)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C18H17FN6O/c19-14-11-13(12-5-2-1-3-6-12)8-9-15(14)20-18(26)25-10-4-7-16(25)17-21-23-24-22-17/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,26)(H,21,22,23,24)
InChIKeyYTYNLDZYWAJGFO-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.37
Rot. Bonds3

About N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 167846449) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID167846449
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC NameN-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1F)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C18H17FN6O/c19-14-11-13(12-5-2-1-3-6-12)8-9-15(14)20-18(26)25-10-4-7-16(25)17-21-23-24-22-17/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,26)(H,21,22,23,24)
InChIKeyYTYNLDZYWAJGFO-UHFFFAOYSA-N
XLogP3.37
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (CID 167846449) is N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1F)N1CCCC1c1nn[nH]n1.
What is the InChIKey of N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is YTYNLDZYWAJGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-14-11-13(12-5-2-1-3-6-12)8-9-15(14)20-18(26)25-10-4-7-16(25)17-21-23-24-22-17/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,20,26)(H,21,22,23,24).
What are the key properties of N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-phenylphenyl)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167846449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).