2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

C16H13ClN6O4 — CID 24578960

IUPAC2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13ClN6O4/c1-20(11-6-8-12(9-7-11)23(26)27)15(24)10-21-16(25)22(19-18-21)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3
InChIKeyJEMRWUDBDASOMA-UHFFFAOYSA-N
MW388.77 g/mol
LogP1.65
Rot. Bonds5

About 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (PubChem CID 24578960) has the molecular formula C16H13ClN6O4 and a molecular weight of 388.77 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
PubChem CID24578960
Molecular FormulaC16H13ClN6O4
Molecular Weight388.77 g/mol
Exact Mass388.07
IUPAC Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
SMILESCN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H13ClN6O4/c1-20(11-6-8-12(9-7-11)23(26)27)15(24)10-21-16(25)22(19-18-21)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3
InChIKeyJEMRWUDBDASOMA-UHFFFAOYSA-N
XLogP1.65
TPSA116.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
CID 24582205
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-(4-fluorophenyl)acetamide
CID 39016445
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 37238219
N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 41161935
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
4-(2,6-dichlorophenyl)-N-ethyl-N-(4-nitrophenyl)-5-oxotetrazole-1-carboxamide
CID 58502054
1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
CID 24578921
1-(2-chlorophenyl)-4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]tetrazol-5-one
CID 24623009
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
1-(2-chlorophenyl)-3-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4010733
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
CID 41402404

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide (CID 24578960) is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is CN(C(=O)Cn1nnn(-c2ccccc2Cl)c1=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
The InChIKey is JEMRWUDBDASOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O4/c1-20(11-6-8-12(9-7-11)23(26)27)15(24)10-21-16(25)22(19-18-21)14-5-3-2-4-13(14)17/h2-9H,10H2,1H3.
What are the key properties of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide?
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide has a molecular weight of 388.77 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 24578960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).