3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide

C18H16FN3O2 — CID 113135117

IUPAC3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-8-2-14(12-20)3-9-17)11-10-18(24)21-16-6-4-15(19)5-7-16/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyGZFISODXIAAXNA-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.08
Rot. Bonds5

About 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide

3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide (PubChem CID 113135117) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
PubChem CID113135117
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-8-2-14(12-20)3-9-17)11-10-18(24)21-16-6-4-15(19)5-7-16/h2-9H,10-11H2,1H3,(H,21,24)
InChIKeyGZFISODXIAAXNA-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-3-fluoroanilino)-N-(4-cyanophenyl)propanamide
CID 113132517
3-(N-acetyl-4-propan-2-ylanilino)-N-(4-cyanophenyl)propanamide
CID 113125961
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-3,4-dimethoxyanilino)-N-(4-cyanophenyl)propanamide
CID 113130291
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
3-(N-acetyl-4-cyanoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113135127
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-(N-acetyl-4-fluoroanilino)-N-(4-fluorophenyl)acetamide
CID 113171016
3-(3-acetamido-N-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 113131024
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-cyanophenyl)acetamide
CID 113175364

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide (CID 113135117) is 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(F)cc1)c1ccc(C#N)cc1.
What is the InChIKey of 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide?
The InChIKey is GZFISODXIAAXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-13(23)22(17-8-2-14(12-20)3-9-17)11-10-18(24)21-16-6-4-15(19)5-7-16/h2-9H,10-11H2,1H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)propanamide?
3-(N-acetyl-4-cyanoanilino)-N-(4-fluorophenyl)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-4-cyanoanilino)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 113135117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).