2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide

C18H17F3N2O3 — CID 113181330

IUPAC2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-10-4-7-15(26-3)13(8-10)22-16(25)9-23(11(2)24)14-6-5-12(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyCYRBNRVRTXWEKK-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.41
Rot. Bonds5

About 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 113181330) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID113181330
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O3/c1-10-4-7-15(26-3)13(8-10)22-16(25)9-23(11(2)24)14-6-5-12(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25)
InChIKeyCYRBNRVRTXWEKK-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-2,3,4-trifluoroanilino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113181324
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113181335
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113181358
methyl 2-[acetyl-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176142
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113174112
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113181321

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide (CID 113181330) is 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(C(C)=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is CYRBNRVRTXWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-10-4-7-15(26-3)13(8-10)22-16(25)9-23(11(2)24)14-6-5-12(19)17(20)18(14)21/h4-8H,9H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 366.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,3,4-trifluoroanilino)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 113181330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).