3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

C18H15FN6O2 — CID 55992377

IUPAC3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C18H15FN6O2/c1-12(26)21-14-5-2-13(3-6-14)4-9-18(27)22-17-10-15(7-8-16(17)19)25-11-20-23-24-25/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyLJMSIJRYOYZJND-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.41
Rot. Bonds5

About 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide

3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 55992377) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID55992377
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESCC(=O)Nc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1
InChIInChI=1S/C18H15FN6O2/c1-12(26)21-14-5-2-13(3-6-14)4-9-18(27)22-17-10-15(7-8-16(17)19)25-11-20-23-24-25/h2-11H,1H3,(H,21,26)(H,22,27)
InChIKeyLJMSIJRYOYZJND-UHFFFAOYSA-N
XLogP2.41
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55812028
3-(4-ethoxy-3-methoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55813949
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
3-(2,5-dichlorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 55814140
(E)-3-(4-propan-2-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 26728883
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
(E)-3-(3,5-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 24555485
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
(E)-3-(3-nitrophenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 7930086
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285392
(E)-3-(2,4-dimethylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 167933207

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 55992377) is 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is CC(=O)Nc1ccc(C=CC(=O)Nc2cc(-n3cnnn3)ccc2F)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is LJMSIJRYOYZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-12(26)21-14-5-2-13(3-6-14)4-9-18(27)22-17-10-15(7-8-16(17)19)25-11-20-23-24-25/h2-11H,1H3,(H,21,26)(H,22,27).
What are the key properties of 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide?
3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 366.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 55992377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).