3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide

C18H18F2N2O2 — CID 113132364

IUPAC3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C18H18F2N2O2/c1-13(23)22(16-7-4-6-15(19)11-16)10-9-18(24)21-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyXNUIWIRNNRPXIA-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.02
Rot. Bonds6

About 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide

3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 113132364) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID113132364
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C18H18F2N2O2/c1-13(23)22(16-7-4-6-15(19)11-16)10-9-18(24)21-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,21,24)
InChIKeyXNUIWIRNNRPXIA-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-4-(dimethylamino)anilino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113131702
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-2-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113126659
3-(4-acetamido-N-acetylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113131097
3-(N-acetyl-2-ethylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113125183
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113133971
3-(N-acetyl-3-chloro-4-fluoroanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113128131
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide (CID 113132364) is 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide is CC(=O)N(CCC(=O)NCc1ccccc1F)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is XNUIWIRNNRPXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-13(23)22(16-7-4-6-15(19)11-16)10-9-18(24)21-12-14-5-2-3-8-17(14)20/h2-8,11H,9-10,12H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide?
3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 113132364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).