4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide

C11H12FN5O — CID 552573

IUPAC4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
SMILESNC(=O)CCCn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O/c12-9-5-3-8(4-6-9)11-14-16-17(15-11)7-1-2-10(13)18/h3-6H,1-2,7H2,(H2,13,18)
InChIKeyIRZKLEFMJMYQCA-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.74
Rot. Bonds5

About 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide

4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide (PubChem CID 552573) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
PubChem CID552573
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
SMILESNC(=O)CCCn1nnc(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN5O/c12-9-5-3-8(4-6-9)11-14-16-17(15-11)7-1-2-10(13)18/h3-6H,1-2,7H2,(H2,13,18)
InChIKeyIRZKLEFMJMYQCA-UHFFFAOYSA-N
XLogP0.74
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[5-(4-nitrophenyl)tetrazol-2-yl]butan-1-one
CID 3859599
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-4-[5-(4-fluorophenyl)tetrazol-2-yl]butan-1-one
CID 133125539
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide
CID 156587114
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxycyclohexyl)butanamide
CID 163318125
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 99972025
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[1-(2-methylpyrazol-3-yl)propyl]butanamide
CID 135095450
4-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 124757424
4-[5-(4-fluorophenyl)tetrazol-2-yl]-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]butan-1-one
CID 157019997
(1S,5R)-7-[4-[5-(4-fluorophenyl)tetrazol-2-yl]butanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 157019764
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
7-[5-(4-bromophenyl)tetrazol-2-yl]-1,1,1-trifluoroheptan-2-one
CID 58423652
2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide (CID 552573) is 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide is NC(=O)CCCn1nnc(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
The InChIKey is IRZKLEFMJMYQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-9-5-3-8(4-6-9)11-14-16-17(15-11)7-1-2-10(13)18/h3-6H,1-2,7H2,(H2,13,18).
What are the key properties of 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide?
4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide has a molecular weight of 249.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)tetrazol-2-yl]butanamide is sourced from PubChem (CID 552573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).