N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

C13H12F3N5O — CID 7419856

IUPACN-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CC1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)9-3-1-2-8(6-9)12-18-20-21(19-12)7-11(22)17-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,17,22)
InChIKeyXUQABLXVQYLVQS-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.64
Rot. Bonds4

About N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide

N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 7419856) has the molecular formula C13H12F3N5O and a molecular weight of 311.27 g/mol. Its IUPAC name is N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID7419856
Molecular FormulaC13H12F3N5O
Molecular Weight311.27 g/mol
Exact Mass311.10
IUPAC NameN-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CC1
InChIInChI=1S/C13H12F3N5O/c14-13(15,16)9-3-1-2-8(6-9)12-18-20-21(19-12)7-11(22)17-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,17,22)
InChIKeyXUQABLXVQYLVQS-UHFFFAOYSA-N
XLogP1.64
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 7419856) is N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is XUQABLXVQYLVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O/c14-13(15,16)9-3-1-2-8(6-9)12-18-20-21(19-12)7-11(22)17-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,17,22).
What are the key properties of N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 311.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 7419856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).