N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

C16H11F4N5O2 — CID 35329651

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H11F4N5O2/c17-13-6-1-10(16(18,19)20)7-14(13)22-15(26)8-27-12-4-2-11(3-5-12)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26)
InChIKeyREVOCQPXEKQBIB-UHFFFAOYSA-N
MW381.29 g/mol
LogP2.84
Rot. Bonds5

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (PubChem CID 35329651) has the molecular formula C16H11F4N5O2 and a molecular weight of 381.29 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
PubChem CID35329651
Molecular FormulaC16H11F4N5O2
Molecular Weight381.29 g/mol
Exact Mass381.08
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C16H11F4N5O2/c17-13-6-1-10(16(18,19)20)7-14(13)22-15(26)8-27-12-4-2-11(3-5-12)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26)
InChIKeyREVOCQPXEKQBIB-UHFFFAOYSA-N
XLogP2.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide (CID 35329651) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is O=C(COc1ccc(-n2cnnn2)cc1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
The InChIKey is REVOCQPXEKQBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N5O2/c17-13-6-1-10(16(18,19)20)7-14(13)22-15(26)8-27-12-4-2-11(3-5-12)25-9-21-23-24-25/h1-7,9H,8H2,(H,22,26).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide has a molecular weight of 381.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is sourced from PubChem (CID 35329651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).