N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide

C17H15F2N5O — CID 18565763

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2N5O/c1-11-3-2-4-12(7-11)8-17(25)20-10-16-21-22-23-24(16)13-5-6-14(18)15(19)9-13/h2-7,9H,8,10H2,1H3,(H,20,25)
InChIKeyVSXXOZFSOGOTHS-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.11
Rot. Bonds5

About N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 18565763) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID18565763
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H15F2N5O/c1-11-3-2-4-12(7-11)8-17(25)20-10-16-21-22-23-24(16)13-5-6-14(18)15(19)9-13/h2-7,9H,8,10H2,1H3,(H,20,25)
InChIKeyVSXXOZFSOGOTHS-UHFFFAOYSA-N
XLogP2.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide (CID 18565763) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCc2nnnn2-c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is VSXXOZFSOGOTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-11-3-2-4-12(7-11)8-17(25)20-10-16-21-22-23-24(16)13-5-6-14(18)15(19)9-13/h2-7,9H,8,10H2,1H3,(H,20,25).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 18565763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).