3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide

C19H18F3N5O2 — CID 86896400

IUPAC3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESO=C(NCCOc1ccccc1C(F)(F)F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)15-8-4-5-9-17(15)29-11-10-23-18(28)16(27-13-24-25-26-27)12-14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,28)
InChIKeyPEFAKISHWLHSGX-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.67
Rot. Bonds8

About 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide

3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide (PubChem CID 86896400) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide
PubChem CID86896400
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide
SMILESO=C(NCCOc1ccccc1C(F)(F)F)C(Cc1ccccc1)n1cnnn1
InChIInChI=1S/C19H18F3N5O2/c20-19(21,22)15-8-4-5-9-17(15)29-11-10-23-18(28)16(27-13-24-25-26-27)12-14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,28)
InChIKeyPEFAKISHWLHSGX-UHFFFAOYSA-N
XLogP2.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide?
The IUPAC name of 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide (CID 86896400) is 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide.
What is the SMILES notation for 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide?
The canonical SMILES for 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide is O=C(NCCOc1ccccc1C(F)(F)F)C(Cc1ccccc1)n1cnnn1.
What is the InChIKey of 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide?
The InChIKey is PEFAKISHWLHSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c20-19(21,22)15-8-4-5-9-17(15)29-11-10-23-18(28)16(27-13-24-25-26-27)12-14-6-2-1-3-7-14/h1-9,13,16H,10-12H2,(H,23,28).
What are the key properties of 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide?
3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide has a molecular weight of 405.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(tetrazol-1-yl)-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propanamide is sourced from PubChem (CID 86896400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).