2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide

C17H16FN5O2 — CID 166228641

IUPAC2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-15(11-3-5-12(18)6-4-11)16(24)19-13-7-9-14(10-8-13)23-17(25)20-21-22-23/h3-10,15H,2H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyMESYXBMHQJCENU-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.23
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide

2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide (PubChem CID 166228641) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide
PubChem CID166228641
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c1-2-15(11-3-5-12(18)6-4-11)16(24)19-13-7-9-14(10-8-13)23-17(25)20-21-22-23/h3-10,15H,2H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyMESYXBMHQJCENU-UHFFFAOYSA-N
XLogP2.23
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-bis(4-methylphenyl)butanamide
CID 2750915
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-2-phenylbutanamide
CID 71791101
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
4-[1-(4-fluorophenyl)propyl]-1H-tetrazol-5-one
CID 135984005
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide (CID 166228641) is 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide is CCC(C(=O)Nc1ccc(-n2nn[nH]c2=O)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide?
The InChIKey is MESYXBMHQJCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-2-15(11-3-5-12(18)6-4-11)16(24)19-13-7-9-14(10-8-13)23-17(25)20-21-22-23/h3-10,15H,2H2,1H3,(H,19,24)(H,20,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide?
2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide has a molecular weight of 341.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(5-oxo-1H-tetrazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 166228641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).