2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C21H19F5N6O — CID 166456606

IUPAC2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3ccc(C(F)(F)F)nc3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C21H19F5N6O/c1-32-30-18(29-31-32)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(33)28-15-6-7-16(27-11-15)21(24,25)26/h2-7,11,14,17H,8-10H2,1H3,(H,28,33)
InChIKeyVVDIBZHGWMMZHQ-UHFFFAOYSA-N
MW466.41 g/mol
LogP4.45
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide

2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 166456606) has the molecular formula C21H19F5N6O and a molecular weight of 466.41 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID166456606
Molecular FormulaC21H19F5N6O
Molecular Weight466.41 g/mol
Exact Mass466.15
IUPAC Name2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCn1nnc(-c2ccc(C(C(=O)Nc3ccc(C(F)(F)F)nc3)C3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C21H19F5N6O/c1-32-30-18(29-31-32)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(33)28-15-6-7-16(27-11-15)21(24,25)26/h2-7,11,14,17H,8-10H2,1H3,(H,28,33)
InChIKeyVVDIBZHGWMMZHQ-UHFFFAOYSA-N
XLogP4.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 166456606) is 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide is Cn1nnc(-c2ccc(C(C(=O)Nc3ccc(C(F)(F)F)nc3)C3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is VVDIBZHGWMMZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F5N6O/c1-32-30-18(29-31-32)13-4-2-12(3-5-13)17(14-8-9-20(22,23)10-14)19(33)28-15-6-7-16(27-11-15)21(24,25)26/h2-7,11,14,17H,8-10H2,1H3,(H,28,33).
What are the key properties of 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 466.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 166456606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).