N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide

C19H20F2N2O4 — CID 113064642

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O4/c1-13(24)23(14-7-8-15(20)16(21)11-14)10-9-22-19(25)12-27-18-6-4-3-5-17(18)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeySDWDQBWRAQIERS-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.52
Rot. Bonds8

About N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide

N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113064642) has the molecular formula C19H20F2N2O4 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113064642
Molecular FormulaC19H20F2N2O4
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O4/c1-13(24)23(14-7-8-15(20)16(21)11-14)10-9-22-19(25)12-27-18-6-4-3-5-17(18)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)
InChIKeySDWDQBWRAQIERS-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-methoxybenzamide
CID 113064615
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113064620
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-fluorobenzamide
CID 113061304
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-[acetyl(tert-butyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113056601
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide (CID 113064642) is N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCCN(C(C)=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is SDWDQBWRAQIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4/c1-13(24)23(14-7-8-15(20)16(21)11-14)10-9-22-19(25)12-27-18-6-4-3-5-17(18)26-2/h3-8,11H,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide?
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 378.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113064642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).