2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide

C18H16FN3O2 — CID 113180657

IUPAC2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1C#N
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-5-3-2-4-15(17)10-20)12-18(24)21-11-14-6-8-16(19)9-7-14/h2-9H,11-12H2,1H3,(H,21,24)
InChIKeyARXXXDGXJJRINB-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.37
Rot. Bonds5

About 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113180657) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113180657
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1C#N
InChIInChI=1S/C18H16FN3O2/c1-13(23)22(17-5-3-2-4-15(17)10-20)12-18(24)21-11-14-6-8-16(19)9-7-14/h2-9H,11-12H2,1H3,(H,21,24)
InChIKeyARXXXDGXJJRINB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
CID 113180649
3-(N-acetyl-2-cyanoanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 113134685
2-(N-acetyl-2,4-difluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113178953
2-(N-acetyl-4-fluoroanilino)-N-benzylacetamide
CID 113170925
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
2-(N-acetyl-4-fluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113171090
2-(N-acetyl-3-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113177593
2-(2-cyano-N-ethyl-4-fluoroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 133400790
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
2-(2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 108997912
2-(N-acetyl-2-methoxyanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 113173139

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 113180657) is 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccccc1C#N.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ARXXXDGXJJRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-13(23)22(17-5-3-2-4-15(17)10-20)12-18(24)21-11-14-6-8-16(19)9-7-14/h2-9H,11-12H2,1H3,(H,21,24).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113180657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).