N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide

C16H14FN5O2 — CID 134025159

IUPACN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-18-16(23)10-22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23)
InChIKeyKMMPYBBAVODOMD-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.92
Rot. Bonds6

About N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 134025159) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID134025159
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NCc1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-18-16(23)10-22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23)
InChIKeyKMMPYBBAVODOMD-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-phenoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 51105980
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylamino)acetamide
CID 61260109
N-[(2R)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197438
N-[(2S)-butan-2-yl]-4-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]benzamide
CID 94197439
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 62059422
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131472
N-[(3-bromothiophen-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 78986110
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
N-[(4-fluorophenyl)methyl]-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 20892457
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 63999342

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide (CID 134025159) is N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NCc1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is KMMPYBBAVODOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-14-5-1-12(2-6-14)9-18-16(23)10-22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23).
What are the key properties of N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 134025159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).