N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

C18H18FN5O2 — CID 74241272

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H18FN5O2/c1-12-21-22-23-24(12)14-8-6-13(7-9-14)10-18(26)20-11-17(25)15-4-2-3-5-16(15)19/h2-9,17,25H,10-11H2,1H3,(H,20,26)
InChIKeyAFEDLWLIFBBYEL-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.50
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 74241272) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID74241272
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCc1nnnn1-c1ccc(CC(=O)NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H18FN5O2/c1-12-21-22-23-24(12)14-8-6-13(7-9-14)10-18(26)20-11-17(25)15-4-2-3-5-16(15)19/h2-9,17,25H,10-11H2,1H3,(H,20,26)
InChIKeyAFEDLWLIFBBYEL-UHFFFAOYSA-N
XLogP1.50
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 71982886
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 46957593
N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 131931060
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 97269669
2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 131911141
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 131924497
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 74241272) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is Cc1nnnn1-c1ccc(CC(=O)NCC(O)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is AFEDLWLIFBBYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-21-22-23-24(12)14-8-6-13(7-9-14)10-18(26)20-11-17(25)15-4-2-3-5-16(15)19/h2-9,17,25H,10-11H2,1H3,(H,20,26).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 74241272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).