2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

C14H15F2N5O2 — CID 75436162

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1-n1cnnn1
InChIInChI=1S/C14H15F2N5O2/c1-9-7-10(3-4-11(9)21-8-17-19-20-21)18-12(22)14(15,16)13(23)5-2-6-13/h3-4,7-8,23H,2,5-6H2,1H3,(H,18,22)
InChIKeyVGQBQFLSZQFQDF-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.46
Rot. Bonds4

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 75436162) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID75436162
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
SMILESCc1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1-n1cnnn1
InChIInChI=1S/C14H15F2N5O2/c1-9-7-10(3-4-11(9)21-8-17-19-20-21)18-12(22)14(15,16)13(23)5-2-6-13/h3-4,7-8,23H,2,5-6H2,1H3,(H,18,22)
InChIKeyVGQBQFLSZQFQDF-UHFFFAOYSA-N
XLogP1.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide (CID 75436162) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is Cc1cc(NC(=O)C(F)(F)C2(O)CCC2)ccc1-n1cnnn1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is VGQBQFLSZQFQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2/c1-9-7-10(3-4-11(9)21-8-17-19-20-21)18-12(22)14(15,16)13(23)5-2-6-13/h3-4,7-8,23H,2,5-6H2,1H3,(H,18,22).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 323.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 75436162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).