N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide

C16H11ClF3N5O2 — CID 90113598

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-n1cnnn1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O2/c17-10-5-6-12(11(7-10)16(18,19)20)22-15(26)8-27-14-4-2-1-3-13(14)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26)
InChIKeyNEWOPXNPIGSFMJ-UHFFFAOYSA-N
MW397.74 g/mol
LogP3.35
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 90113598) has the molecular formula C16H11ClF3N5O2 and a molecular weight of 397.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID90113598
Molecular FormulaC16H11ClF3N5O2
Molecular Weight397.74 g/mol
Exact Mass397.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccccc1-n1cnnn1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11ClF3N5O2/c17-10-5-6-12(11(7-10)16(18,19)20)22-15(26)8-27-14-4-2-1-3-13(14)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26)
InChIKeyNEWOPXNPIGSFMJ-UHFFFAOYSA-N
XLogP3.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.74
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide (CID 90113598) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccccc1-n1cnnn1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is NEWOPXNPIGSFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N5O2/c17-10-5-6-12(11(7-10)16(18,19)20)22-15(26)8-27-14-4-2-1-3-13(14)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 397.74 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[2-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 90113598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).