2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide

C16H14FN3O2 — CID 86825970

IUPAC2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H14FN3O2/c1-22-15-8-12(17)4-7-14(15)20-16(21)10-19-13-5-2-11(9-18)3-6-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyGAZJNRFAQRKXBE-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide

2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide (PubChem CID 86825970) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
PubChem CID86825970
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
SMILESCOc1cc(F)ccc1NC(=O)CNc1ccc(C#N)cc1
InChIInChI=1S/C16H14FN3O2/c1-22-15-8-12(17)4-7-14(15)20-16(21)10-19-13-5-2-11(9-18)3-6-13/h2-8,19H,10H2,1H3,(H,20,21)
InChIKeyGAZJNRFAQRKXBE-UHFFFAOYSA-N
XLogP2.76
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(5-chloro-2-fluorophenyl)-2-(4-cyanoanilino)acetamide
CID 51183099
2-(4-cyanoanilino)-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 55985794
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide (CID 86825970) is 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide is COc1cc(F)ccc1NC(=O)CNc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide?
The InChIKey is GAZJNRFAQRKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-22-15-8-12(17)4-7-14(15)20-16(21)10-19-13-5-2-11(9-18)3-6-13/h2-8,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide?
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide has a molecular weight of 299.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 86825970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).