2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

C18H17F3N2O4 — CID 113174807

IUPAC2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c(OC)c1
InChIInChI=1S/C18H17F3N2O4/c1-10(24)23(14-7-4-11(26-2)8-15(14)27-3)9-16(25)22-13-6-5-12(19)17(20)18(13)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyNVFQUUJYNNKYJO-UHFFFAOYSA-N
MW382.34 g/mol
LogP3.11
Rot. Bonds6

About 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113174807) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113174807
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c(OC)c1
InChIInChI=1S/C18H17F3N2O4/c1-10(24)23(14-7-4-11(26-2)8-15(14)27-3)9-16(25)22-13-6-5-12(19)17(20)18(13)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyNVFQUUJYNNKYJO-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)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-(4-acetamidophenyl)-2-(N-acetyl-2,4-dimethoxyanilino)acetamide
CID 113174784
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113181324
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113181330
2-(N-acetyl-2,4-dimethoxyanilino)-N-(4-methylphenyl)acetamide
CID 113174733
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113174773
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
N-[2-(N-acetyl-2,4-dimethoxyanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113061258
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174499
2-(N-acetyl-2,3-dimethylanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113169007
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113175346

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113174807) is 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2F)C(C)=O)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NVFQUUJYNNKYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-10(24)23(14-7-4-11(26-2)8-15(14)27-3)9-16(25)22-13-6-5-12(19)17(20)18(13)21/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 382.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113174807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).