N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide

C14H9Cl2N5O4 — CID 4132630

IUPACN-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
SMILESO=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N5O4/c15-10-3-1-8(5-11(10)16)17-14(22)7-25-20-13-6-9(21(23)24)2-4-12(13)18-19-20/h1-6H,7H2,(H,17,22)
InChIKeyJTUNKVXHLBKJSR-UHFFFAOYSA-N
MW382.16 g/mol
LogP2.71
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide

N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide (PubChem CID 4132630) has the molecular formula C14H9Cl2N5O4 and a molecular weight of 382.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
PubChem CID4132630
Molecular FormulaC14H9Cl2N5O4
Molecular Weight382.16 g/mol
Exact Mass381.00
IUPAC NameN-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
SMILESO=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2N5O4/c15-10-3-1-8(5-11(10)16)17-14(22)7-25-20-13-6-9(21(23)24)2-4-12(13)18-19-20/h1-6H,7H2,(H,17,22)
InChIKeyJTUNKVXHLBKJSR-UHFFFAOYSA-N
XLogP2.71
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.16
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 46496939
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide
CID 3979689
methyl 3-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate
CID 7705944
N-(3-chloro-4-methoxyphenyl)-2-[6-(trifluoromethyl)benzotriazol-1-yl]oxyacetamide
CID 7697213
N-(4-bromo-3-methylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxyacetamide
CID 2641213
1-(4-methoxyphenyl)-2-(6-nitrobenzotriazol-1-yl)oxyethanone
CID 7272313
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770418
N-(3,4-dichlorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 84601847
N-(4-bromo-3-methylphenyl)-2-(6-methylsulfonylbenzotriazol-1-yl)oxyacetamide
CID 2515806
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 7718955
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide (CID 4132630) is N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide is O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide?
The InChIKey is JTUNKVXHLBKJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O4/c15-10-3-1-8(5-11(10)16)17-14(22)7-25-20-13-6-9(21(23)24)2-4-12(13)18-19-20/h1-6H,7H2,(H,17,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide?
N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide has a molecular weight of 382.16 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(6-nitrobenzotriazol-1-yl)oxyacetamide is sourced from PubChem (CID 4132630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).