N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

C16H14FN5O2 — CID 9070433

IUPACN-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN5O2/c17-12-6-8-13(9-7-12)18-16(23)10-22-20-15(19-21-22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23)
InChIKeyCJTCGBANEPJWOH-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.03
Rot. Bonds6

About N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide

N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (PubChem CID 9070433) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
PubChem CID9070433
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN5O2/c17-12-6-8-13(9-7-12)18-16(23)10-22-20-15(19-21-22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23)
InChIKeyCJTCGBANEPJWOH-UHFFFAOYSA-N
XLogP2.03
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
N-(3-chloro-4-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26688041
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820053
N-(3-cyanophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9083236
N-(3-ethylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 26691371
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9148157
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-phenylacetamide
CID 860418
N-(4-bromo-2-methylphenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9091606
2-[5-[(2-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820051
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide (CID 9070433) is N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(COc2ccccc2)n1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
The InChIKey is CJTCGBANEPJWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-12-6-8-13(9-7-12)18-16(23)10-22-20-15(19-21-22)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,23).
What are the key properties of N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide?
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide has a molecular weight of 327.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 9070433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).