2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

C15H12ClF3N2O2 — CID 109008882

IUPAC2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O2/c1-23-12-5-2-8(16)6-11(12)20-7-13(22)21-10-4-3-9(17)14(18)15(10)19/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyBMEJGGHESJETRR-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.82
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 109008882) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID109008882
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H12ClF3N2O2/c1-23-12-5-2-8(16)6-11(12)20-7-13(22)21-10-4-3-9(17)14(18)15(10)19/h2-6,20H,7H2,1H3,(H,21,22)
InChIKeyBMEJGGHESJETRR-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(2,4-dichlorophenyl)acetamide
CID 9099077
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 7694831
N-(2-chloro-4-fluorophenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 9099062
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
methyl 5-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-2,4-difluorobenzoate
CID 47024991
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)acetamide
CID 9105369
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 2516960
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
2-(2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 26417516
2-(5-chloro-2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 26417328

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 109008882) is 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(Cl)cc1NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BMEJGGHESJETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-12-5-2-8(16)6-11(12)20-7-13(22)21-10-4-3-9(17)14(18)15(10)19/h2-6,20H,7H2,1H3,(H,21,22).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 344.72 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 109008882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).