N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide

C16H13F2N5O2 — CID 56782452

IUPACN-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H13F2N5O2/c17-13-6-5-12(9-14(13)18)25-8-7-19-16(24)11-3-1-10(2-4-11)15-20-22-23-21-15/h1-6,9H,7-8H2,(H,19,24)(H,20,21,22,23)
InChIKeyUPPUFUYJMHPSJE-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide

N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 56782452) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
PubChem CID56782452
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
SMILESO=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C16H13F2N5O2/c17-13-6-5-12(9-14(13)18)25-8-7-19-16(24)11-3-1-10(2-4-11)15-20-22-23-21-15/h1-6,9H,7-8H2,(H,19,24)(H,20,21,22,23)
InChIKeyUPPUFUYJMHPSJE-UHFFFAOYSA-N
XLogP1.95
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(carbamoylamino)methyl]-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 56803329
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
CID 166984084
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
3,4-difluoro-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]benzamide
CID 87640488
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
4-chloro-N-[2-(3,4-difluorophenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 56803293
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide (CID 56782452) is N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide is O=C(NCCOc1ccc(F)c(F)c1)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is UPPUFUYJMHPSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-13-6-5-12(9-14(13)18)25-8-7-19-16(24)11-3-1-10(2-4-11)15-20-22-23-21-15/h1-6,9H,7-8H2,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide?
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 345.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 56782452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).