3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide

C18H16FN3O2 — CID 113132517

IUPAC3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-4-2-3-15(19)11-17)10-9-18(24)21-16-7-5-14(12-20)6-8-16/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyPBDCOJAHHBIVSL-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.08
Rot. Bonds5

About 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide

3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 113132517) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
PubChem CID113132517
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-4-2-3-15(19)11-17)10-9-18(24)21-16-7-5-14(12-20)6-8-16/h2-8,11H,9-10H2,1H3,(H,21,24)
InChIKeyPBDCOJAHHBIVSL-UHFFFAOYSA-N
XLogP3.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
CID 113135117
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-fluoroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113132521
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-3-fluoroanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113132453
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
N-(3-cyanophenyl)-3-(N,3-diacetylanilino)propanamide
CID 113130769
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
N-(4-acetamidophenyl)-2-(N-acetyl-3-fluoroanilino)acetamide
CID 113177708
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide (CID 113132517) is 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)c1cccc(F)c1.
What is the InChIKey of 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is PBDCOJAHHBIVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-13(23)22(17-4-2-3-15(19)11-17)10-9-18(24)21-16-7-5-14(12-20)6-8-16/h2-8,11H,9-10H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide?
3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 325.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-fluoroanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113132517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).