2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C20H20ClN5O2 — CID 37238219

IUPAC2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H20ClN5O2/c1-24(17-12-6-8-14-7-2-3-9-15(14)17)19(27)13-25-20(28)26(23-22-25)18-11-5-4-10-16(18)21/h2-5,7,9-11,17H,6,8,12-13H2,1H3/t17-/m1/s1
InChIKeyRLDXFYCRONZYOA-QGZVFWFLSA-N
MW397.87 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 37238219) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID37238219
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H20ClN5O2/c1-24(17-12-6-8-14-7-2-3-9-15(14)17)19(27)13-25-20(28)26(23-22-25)18-11-5-4-10-16(18)21/h2-5,7,9-11,17H,6,8,12-13H2,1H3/t17-/m1/s1
InChIKeyRLDXFYCRONZYOA-QGZVFWFLSA-N
XLogP2.62
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348624
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 60511940
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8686002
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95289244
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46527824

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 37238219) is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is RLDXFYCRONZYOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-24(17-12-6-8-14-7-2-3-9-15(14)17)19(27)13-25-20(28)26(23-22-25)18-11-5-4-10-16(18)21/h2-5,7,9-11,17H,6,8,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 397.87 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 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-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 37238219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).