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

C20H15F2N5O2 — CID 18565752

IUPACN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N5O2/c21-17-8-6-15(10-18(17)22)27-19(24-25-26-27)11-23-20(28)12-29-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,28)
InChIKeyMNYQLVSOIHTUQZ-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.79
Rot. Bonds6

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

N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide (PubChem CID 18565752) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide
PubChem CID18565752
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC NameN-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N5O2/c21-17-8-6-15(10-18(17)22)27-19(24-25-26-27)11-23-20(28)12-29-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,28)
InChIKeyMNYQLVSOIHTUQZ-UHFFFAOYSA-N
XLogP2.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide (CID 18565752) is N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NCc1nnnn1-c1ccc(F)c(F)c1.
What is the InChIKey of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is MNYQLVSOIHTUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-17-8-6-15(10-18(17)22)27-19(24-25-26-27)11-23-20(28)12-29-16-7-5-13-3-1-2-4-14(13)9-16/h1-10H,11-12H2,(H,23,28).
What are the key properties of N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide?
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 395.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 18565752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).