N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide

C18H19FN2O3 — CID 113062635

IUPACN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-14(22)21(16-7-5-6-15(19)12-16)11-10-20-18(23)13-24-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyNRXJXFPKVTYHIQ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.37
Rot. Bonds7

About N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide (PubChem CID 113062635) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
PubChem CID113062635
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
SMILESCC(=O)N(CCNC(=O)COc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H19FN2O3/c1-14(22)21(16-7-5-6-15(19)12-16)11-10-20-18(23)13-24-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeyNRXJXFPKVTYHIQ-UHFFFAOYSA-N
XLogP2.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenoxyacetamide
CID 113059114
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
methyl 2-[acetyl-[2-[(2-phenoxyacetyl)amino]ethyl]amino]benzoate
CID 113061902
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113059329
N-[2-(N-acetyl-4-chloroanilino)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113059644
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113064642

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide (CID 113062635) is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide is CC(=O)N(CCNC(=O)COc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide?
The InChIKey is NRXJXFPKVTYHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-14(22)21(16-7-5-6-15(19)12-16)11-10-20-18(23)13-24-17-8-3-2-4-9-17/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide?
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide has a molecular weight of 330.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 113062635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).