N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide

C18H17N5O4 — CID 32582204

IUPACN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H17N5O4/c1-2-22-12-19-21-18(22)13-6-5-7-14(10-13)20-17(24)11-27-16-9-4-3-8-15(16)23(25)26/h3-10,12H,2,11H2,1H3,(H,20,24)
InChIKeyZDYUUOJSUHGKSE-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.89
Rot. Bonds7

About N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide

N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide (PubChem CID 32582204) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
PubChem CID32582204
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC NameN-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
SMILESCCn1cnnc1-c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H17N5O4/c1-2-22-12-19-21-18(22)13-6-5-7-14(10-13)20-17(24)11-27-16-9-4-3-8-15(16)23(25)26/h3-10,12H,2,11H2,1H3,(H,20,24)
InChIKeyZDYUUOJSUHGKSE-UHFFFAOYSA-N
XLogP2.89
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.89
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'}

Analyze N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 55825534
2-(4-ethylphenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 32581166
2-(4-bromophenoxy)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 31917587
ethyl 3-[[2-(2-nitrophenoxy)acetyl]amino]benzoate
CID 717219
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-methoxy-5-nitrobenzamide
CID 32574914
N-(3-methylsulfanylphenyl)-2-(2-nitrophenoxy)acetamide
CID 7900288
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
N-(3,4-dipropoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7924135
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
4-tert-butyl-N-[3-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 3894529

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide (CID 32582204) is N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide is CCn1cnnc1-c1cccc(NC(=O)COc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
The InChIKey is ZDYUUOJSUHGKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-2-22-12-19-21-18(22)13-6-5-7-14(10-13)20-17(24)11-27-16-9-4-3-8-15(16)23(25)26/h3-10,12H,2,11H2,1H3,(H,20,24).
What are the key properties of N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide?
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide has a molecular weight of 367.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 32582204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).