2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H16F3N3O4 — CID 112799220

IUPAC2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O4/c1-10-7-11(2)15(23(25)26)8-14(10)21-9-16(24)22-12-3-5-13(6-4-12)27-17(18,19)20/h3-8,21H,9H2,1-2H3,(H,22,24)
InChIKeyZAFLTLMCPYCFQT-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.16
Rot. Bonds6

About 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 112799220) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID112799220
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC Name2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16F3N3O4/c1-10-7-11(2)15(23(25)26)8-14(10)21-9-16(24)22-12-3-5-13(6-4-12)27-17(18,19)20/h3-8,21H,9H2,1-2H3,(H,22,24)
InChIKeyZAFLTLMCPYCFQT-UHFFFAOYSA-N
XLogP4.16
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]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

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methyl-4-nitrobenzoate
CID 8013523
2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-[4-(trifluoromethoxy)phenoxy]propanamide
CID 67526286
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544484
2-(tert-butylamino)-N-(2,4-dimethyl-5-nitrophenyl)acetamide
CID 115572266
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
1-(4-hydroxy-3-nitrophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 69012561
2-(4-nitrophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2083460
2-(4-fluoro-2-methylanilino)-N-(4-nitrophenyl)acetamide
CID 9106237
2-methyl-N-[4-methyl-3-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 55892711
2-(2-fluoro-4-methylanilino)-N-(4-methyl-3-nitrophenyl)acetamide
CID 26438397
methyl 3-methyl-4-[[2-(4-nitroanilino)-2-oxoethyl]amino]benzoate
CID 24662260

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 112799220) is 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(C)c([N+](=O)[O-])cc1NCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is ZAFLTLMCPYCFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4/c1-10-7-11(2)15(23(25)26)8-14(10)21-9-16(24)22-12-3-5-13(6-4-12)27-17(18,19)20/h3-8,21H,9H2,1-2H3,(H,22,24).
What are the key properties of 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 383.33 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-nitroanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 112799220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).