2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide

C15H13FN6O — CID 1463689

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide
SMILESNc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H13FN6O/c16-11-3-7-13(8-4-11)18-14(23)9-22-20-15(19-21-22)10-1-5-12(17)6-2-10/h1-8H,9,17H2,(H,18,23)
InChIKeyQADGITPVPIDOKJ-UHFFFAOYSA-N
MW312.31 g/mol
LogP1.70
Rot. Bonds4

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide

2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 1463689) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide
PubChem CID1463689
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide
SMILESNc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C15H13FN6O/c16-11-3-7-13(8-4-11)18-14(23)9-22-20-15(19-21-22)10-1-5-12(17)6-2-10/h1-8H,9,17H2,(H,18,23)
InChIKeyQADGITPVPIDOKJ-UHFFFAOYSA-N
XLogP1.70
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 890652
4-[2-(2-Fluoro-benzyl)-2H-tetrazol-5-yl]-phenylamine
CID 1463674
1-[4-(2-Butyltetrazol-5-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122455248
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
N-[2-(2-Ethyl-2H-tetrazol-5-yl)-phenyl]-2,2,2-trifluoro-acetamide
CID 652435
4-Fluoro-N-(4-{2-[(3-methoxy-propylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 656171
1-(4-fluorophenyl)-4-[(5-phenyl-2H-tetrazol-2-yl)acetyl]piperazine
CID 1264121
2-fluoro-N-[4-[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1452544
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 1132849
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-(4-methyl-piperidin-1-yl)-ethanone
CID 1463679
[2-(2,5-Difluoroanilino)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2436905

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide (CID 1463689) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide is Nc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is QADGITPVPIDOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-11-3-7-13(8-4-11)18-14(23)9-22-20-15(19-21-22)10-1-5-12(17)6-2-10/h1-8H,9,17H2,(H,18,23).
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide?
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 312.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1463689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).