benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate

C16H14FN5O2 — CID 69013918

IUPACbenzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate
SMILESCn1nnnc1-c1ccc(NC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C16H14FN5O2/c1-22-15(19-20-21-22)13-8-7-12(9-14(13)17)18-16(23)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFPMGPRVOOWYJOD-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.76
Rot. Bonds4

About benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate

benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate (PubChem CID 69013918) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate
PubChem CID69013918
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Namebenzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate
SMILESCn1nnnc1-c1ccc(NC(=O)OCc2ccccc2)cc1F
InChIInChI=1S/C16H14FN5O2/c1-22-15(19-20-21-22)13-8-7-12(9-14(13)17)18-16(23)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23)
InChIKeyFPMGPRVOOWYJOD-UHFFFAOYSA-N
XLogP2.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate (CID 69013918) is benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate is Cn1nnnc1-c1ccc(NC(=O)OCc2ccccc2)cc1F.
What is the InChIKey of benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate?
The InChIKey is FPMGPRVOOWYJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-22-15(19-20-21-22)13-8-7-12(9-14(13)17)18-16(23)24-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate?
benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate has a molecular weight of 327.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 69013918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).