2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C19H19FN6O — CID 23607728

IUPAC2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H19FN6O/c20-17-6-2-1-5-16(17)19-22-23-24-26(19)13-18(27)21-14-7-9-15(10-8-14)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,21,27)
InChIKeyPVFUSAQETFNJMS-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.72
Rot. Bonds5

About 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 23607728) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID23607728
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnnc1-c1ccccc1F)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H19FN6O/c20-17-6-2-1-5-16(17)19-22-23-24-26(19)13-18(27)21-14-7-9-15(10-8-14)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,21,27)
InChIKeyPVFUSAQETFNJMS-UHFFFAOYSA-N
XLogP2.72
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110333919
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 5217199
N-[4-(azepan-1-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7582099
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
N-[2-(2-fluorophenyl)ethyl]-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985263
3-(2,6-difluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041778
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960
N-(4-pyrrolidin-1-ylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499477
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 23607728) is 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(Cn1nnnc1-c1ccccc1F)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is PVFUSAQETFNJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-17-6-2-1-5-16(17)19-22-23-24-26(19)13-18(27)21-14-7-9-15(10-8-14)25-11-3-4-12-25/h1-2,5-10H,3-4,11-13H2,(H,21,27).
What are the key properties of 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 23607728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).