2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide

C17H18F2N2O4 — CID 36585879

IUPAC2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O4/c1-23-13-7-8-15(24-2)14(9-13)21-16(22)10-20-11-3-5-12(6-4-11)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyAGMJUISAFNTYMT-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.36
Rot. Bonds8

About 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide

2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 36585879) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID36585879
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C17H18F2N2O4/c1-23-13-7-8-15(24-2)14(9-13)21-16(22)10-20-11-3-5-12(6-4-11)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22)
InChIKeyAGMJUISAFNTYMT-UHFFFAOYSA-N
XLogP3.36
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-propoxyanilino)acetamide
CID 54820345
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370
4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840532
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119715086
2-(3-bromo-4-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 109008943
N-(5-acetamido-2-methoxyphenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 33178137
2-[4-(diethylsulfamoyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 9084037
butyl 4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 9084168
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
N-(2,5-dimethoxyphenyl)-3-(4-fluoroanilino)propanamide
CID 109037732
2-(cyclopropylamino)-N-[2-(difluoromethoxy)-5-methoxyphenyl]acetamide
CID 60841268
2-(4-chloro-2-methoxy-5-methylanilino)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 9102876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide (CID 36585879) is 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CNc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is AGMJUISAFNTYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c1-23-13-7-8-15(24-2)14(9-13)21-16(22)10-20-11-3-5-12(6-4-11)25-17(18)19/h3-9,17,20H,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 352.34 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 36585879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).