N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide

C15H10Cl2N6O4 — CID 24582205

IUPACN-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10Cl2N6O4/c16-10-3-1-2-4-12(10)22-15(25)21(19-20-22)8-14(24)18-9-5-6-11(17)13(7-9)23(26)27/h1-7H,8H2,(H,18,24)
InChIKeyVEFDXPNLYPLAIO-UHFFFAOYSA-N
MW409.19 g/mol
LogP2.28
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide

N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide (PubChem CID 24582205) has the molecular formula C15H10Cl2N6O4 and a molecular weight of 409.19 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
PubChem CID24582205
Molecular FormulaC15H10Cl2N6O4
Molecular Weight409.19 g/mol
Exact Mass408.01
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10Cl2N6O4/c16-10-3-1-2-4-12(10)22-15(25)21(19-20-22)8-14(24)18-9-5-6-11(17)13(7-9)23(26)27/h1-7H,8H2,(H,18,24)
InChIKeyVEFDXPNLYPLAIO-UHFFFAOYSA-N
XLogP2.28
TPSA124.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
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-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 39016671
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
CID 41402404
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
N-(4-chloro-3-nitrophenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2401395
N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517401
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-(4-nitrophenyl)acetamide
CID 24578960
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
N-(4-chloro-3-nitrophenyl)-2-[4-(4-chlorophenyl)-5-methyltriazol-1-yl]acetamide
CID 100761249
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide (CID 24582205) is N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide?
The InChIKey is VEFDXPNLYPLAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6O4/c16-10-3-1-2-4-12(10)22-15(25)21(19-20-22)8-14(24)18-9-5-6-11(17)13(7-9)23(26)27/h1-7H,8H2,(H,18,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide?
N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide has a molecular weight of 409.19 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide is sourced from PubChem (CID 24582205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).