N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide

C20H16FN5O — CID 16799300

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O/c21-16-8-10-17(11-9-16)26-19(23-24-25-26)13-22-20(27)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,22,27)
InChIKeyKNMPDJODIGAUDN-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.81
Rot. Bonds5

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide (PubChem CID 16799300) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
PubChem CID16799300
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O/c21-16-8-10-17(11-9-16)26-19(23-24-25-26)13-22-20(27)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,22,27)
InChIKeyKNMPDJODIGAUDN-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide (CID 16799300) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide?
The InChIKey is KNMPDJODIGAUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-16-8-10-17(11-9-16)26-19(23-24-25-26)13-22-20(27)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H,22,27).
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide has a molecular weight of 361.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 16799300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).