N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide

C16H14FN5O2 — CID 37363321

IUPACN-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-10-9-18-16(23)12-1-5-14(6-2-12)22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23)
InChIKeyCLFYYLAEOMXMSI-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.61
Rot. Bonds6

About N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide

N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 37363321) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID37363321
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-10-9-18-16(23)12-1-5-14(6-2-12)22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23)
InChIKeyCLFYYLAEOMXMSI-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
2-(4-fluorophenoxy)-N-[4-(tetrazol-1-yl)phenyl]ethanesulfonamide
CID 90518653
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
N-[(E)-(4-butoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998138
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
1-(4-fluorophenyl)tetrazole
CID 825628
N-[1-(4-fluorophenyl)ethylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4848296
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-[2-(3-methylphenoxy)ethyl]-3-(tetrazol-1-yl)benzamide
CID 31916303

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide (CID 37363321) is N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide is O=C(NCCOc1ccc(F)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is CLFYYLAEOMXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-13-3-7-15(8-4-13)24-10-9-18-16(23)12-1-5-14(6-2-12)22-11-19-20-21-22/h1-8,11H,9-10H2,(H,18,23).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide?
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 327.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 37363321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).