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

C15H16F3N5O — CID 974444

IUPACN-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11-5-3-4-10(8-11)14-20-22-23(21-14)9-13(24)19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,24)
InChIKeyIUDRUANAEXUMQN-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.42
Rot. Bonds4

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

N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (PubChem CID 974444) has the molecular formula C15H16F3N5O and a molecular weight of 339.32 g/mol. Its IUPAC name is N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
PubChem CID974444
Molecular FormulaC15H16F3N5O
Molecular Weight339.32 g/mol
Exact Mass339.13
IUPAC NameN-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1
InChIInChI=1S/C15H16F3N5O/c16-15(17,18)11-5-3-4-10(8-11)14-20-22-23(21-14)9-13(24)19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,24)
InChIKeyIUDRUANAEXUMQN-UHFFFAOYSA-N
XLogP2.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide (CID 974444) is N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is IUDRUANAEXUMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5O/c16-15(17,18)11-5-3-4-10(8-11)14-20-22-23(21-14)9-13(24)19-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H,19,24).
What are the key properties of N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide?
N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 339.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 974444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).