3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide

C16H23FN2O2 — CID 113132410

IUPAC3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-4-5-10-18-16(21)9-11-19(13(2)20)15-8-6-7-14(17)12-15/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,21)
InChIKeyZJWMFZMSYZOBGT-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.88
Rot. Bonds8

About 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide

3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide (PubChem CID 113132410) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
PubChem CID113132410
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(C(C)=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O2/c1-3-4-5-10-18-16(21)9-11-19(13(2)20)15-8-6-7-14(17)12-15/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,21)
InChIKeyZJWMFZMSYZOBGT-UHFFFAOYSA-N
XLogP2.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113132364
2-(N-acetyl-3-fluoroanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113177580
3-(N-acetyl-3-fluoroanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113132367
3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
3-(N-acetyl-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 113127189
3-(N-acetyl-2,4-dichloroanilino)-N-pentylpropanamide
CID 113133885
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-2,4,6-trimethylanilino)-N-pentylpropanamide
CID 113126035
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide (CID 113132410) is 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide is CCCCCNC(=O)CCN(C(C)=O)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide?
The InChIKey is ZJWMFZMSYZOBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-4-5-10-18-16(21)9-11-19(13(2)20)15-8-6-7-14(17)12-15/h6-8,12H,3-5,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide?
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide has a molecular weight of 294.37 g/mol, XLogP of 2.88, 8 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-pentylpropanamide is sourced from PubChem (CID 113132410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).