1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone

C17H15FN4O — CID 163817482

IUPAC1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)c(C)c(-c2nn[nH]n2)c1-c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c1-9-7-14(11(3)23)16(12-5-4-6-13(18)8-12)15(10(9)2)17-19-21-22-20-17/h4-8H,1-3H3,(H,19,20,21,22)
InChIKeyNSORDNRSEXFPPE-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.49
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone

1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone (PubChem CID 163817482) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone
PubChem CID163817482
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone
SMILESCC(=O)c1cc(C)c(C)c(-c2nn[nH]n2)c1-c1cccc(F)c1
InChIInChI=1S/C17H15FN4O/c1-9-7-14(11(3)23)16(12-5-4-6-13(18)8-12)15(10(9)2)17-19-21-22-20-17/h4-8H,1-3H3,(H,19,20,21,22)
InChIKeyNSORDNRSEXFPPE-UHFFFAOYSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-acetyl-N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]acetamide
CID 86666777
1-[5-chloro-3-[1-(1-ethoxyethyl)pyrazol-4-yl]-2-(3-fluorophenyl)-4-methylphenyl]ethanone
CID 86666810
1-[3-bromo-5-chloro-2-(3-fluorophenyl)-4-methylphenyl]ethanone
CID 88536133
[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]-carboxycarbamic acid
CID 88536419
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
4-(3-fluorophenyl)-2-hexan-3-yloxy-3-(2H-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
CID 144576758
N-[3-acetyl-5-chloro-2-(3-fluorophenyl)-6-methylphenyl]-N-methylsulfonylmethanesulfonamide
CID 86666784
6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 114872887
1-[2-chloro-4-(3-fluorophenyl)phenyl]ethanone
CID 82770292
5-(2-methyl-6-phenylphenyl)-2H-tetrazole;hydrate
CID 172761418
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone (CID 163817482) is 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone is CC(=O)c1cc(C)c(C)c(-c2nn[nH]n2)c1-c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone?
The InChIKey is NSORDNRSEXFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-9-7-14(11(3)23)16(12-5-4-6-13(18)8-12)15(10(9)2)17-19-21-22-20-17/h4-8H,1-3H3,(H,19,20,21,22).
What are the key properties of 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone?
1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone has a molecular weight of 310.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-4,5-dimethyl-3-(2H-tetrazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 163817482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).