4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide

C17H15FN6O3 — CID 8870849

IUPAC4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN6O3/c18-13-8-6-12(7-9-13)17(26)21-20-16(25)10-24-22-15(19-23-24)11-27-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,20,25)(H,21,26)
InChIKeyJRYRRHWLBUSNRU-UHFFFAOYSA-N
MW370.34 g/mol
LogP0.85
Rot. Bonds6

About 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide

4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide (PubChem CID 8870849) has the molecular formula C17H15FN6O3 and a molecular weight of 370.34 g/mol. Its IUPAC name is 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
PubChem CID8870849
Molecular FormulaC17H15FN6O3
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
SMILESO=C(Cn1nnc(COc2ccccc2)n1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FN6O3/c18-13-8-6-12(7-9-13)17(26)21-20-16(25)10-24-22-15(19-23-24)11-27-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,20,25)(H,21,26)
InChIKeyJRYRRHWLBUSNRU-UHFFFAOYSA-N
XLogP0.85
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
2-[5-[(4-fluorophenoxy)methyl]tetrazol-2-yl]acetic acid
CID 116820053
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
CID 8969759
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
4-hexoxy-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 9468307
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
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-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide (CID 8870849) is 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide is O=C(Cn1nnc(COc2ccccc2)n1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide?
The InChIKey is JRYRRHWLBUSNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3/c18-13-8-6-12(7-9-13)17(26)21-20-16(25)10-24-22-15(19-23-24)11-27-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,20,25)(H,21,26).
What are the key properties of 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide?
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide has a molecular weight of 370.34 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide is sourced from PubChem (CID 8870849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).