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

C19H21FN2O3 — CID 113062638

IUPACN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-15(23)22(17-7-5-6-16(20)14-17)12-11-21-19(24)10-13-25-18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyAFNNAGNAVRZJOP-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.76
Rot. Bonds8

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

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide (PubChem CID 113062638) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
PubChem CID113062638
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
SMILESCC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-15(23)22(17-7-5-6-16(20)14-17)12-11-21-19(24)10-13-25-18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyAFNNAGNAVRZJOP-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-4-ethylanilino)ethyl]-3-phenoxypropanamide
CID 113058428
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113058113
N-[2-(N-acetyl-2,3,4-trifluoroanilino)ethyl]-3-phenoxypropanamide
CID 113064450
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-3-phenoxypropanamide
CID 113057798
methyl 2-[acetyl-[2-(3-phenoxypropanoylamino)ethyl]amino]benzoate
CID 113061903
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]-3-phenoxypropanamide
CID 113059745
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
N-[2-[acetyl-[(2-fluorophenyl)methyl]amino]ethyl]-3-phenoxypropanamide
CID 113054565
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
CID 113060528

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide (CID 113062638) is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide is CC(=O)N(CCNC(=O)CCOc1ccccc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide?
The InChIKey is AFNNAGNAVRZJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-15(23)22(17-7-5-6-16(20)14-17)12-11-21-19(24)10-13-25-18-8-3-2-4-9-18/h2-9,14H,10-13H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide?
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide has a molecular weight of 344.39 g/mol, XLogP of 2.76, 8 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]-3-phenoxypropanamide is sourced from PubChem (CID 113062638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).