2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide

C19H14ClN5O2 — CID 41402404

IUPAC2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c20-15-9-3-4-11-17(15)25-19(27)24(22-23-25)12-18(26)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)
InChIKeyFFKGSXJOUWQFNH-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 41402404) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID41402404
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClN5O2/c20-15-9-3-4-11-17(15)25-19(27)24(22-23-25)12-18(26)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26)
InChIKeyFFKGSXJOUWQFNH-UHFFFAOYSA-N
XLogP2.87
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
CID 24582205
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 39016671
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-naphthalen-1-ylacetamide
CID 7659865
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 1445436
N-(2-chlorophenyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51208434
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-(2-chlorophenyl)-4-(1-naphthalen-1-yltetrazol-5-yl)butanamide
CID 5275113
2-[(2-chlorophenyl)methylamino]-N-naphthalen-1-ylacetamide
CID 3974047
1-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 24623009

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide (CID 41402404) is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1cccc2ccccc12.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is FFKGSXJOUWQFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-15-9-3-4-11-17(15)25-19(27)24(22-23-25)12-18(26)21-16-10-5-7-13-6-1-2-8-14(13)16/h1-11H,12H2,(H,21,26).
What are the key properties of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 379.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 41402404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).