2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide

C18H16FN3O2 — CID 108924113

IUPAC2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)11-18(24)21-12-13-4-3-6-15(10-13)22-17(23)8-9-20/h1-7,10H,8,11-12H2,(H,21,24)(H,22,23)
InChIKeyYYOCPTRJNRTGAB-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.54
Rot. Bonds6

About 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide

2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108924113) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108924113
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)Cc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)11-18(24)21-12-13-4-3-6-15(10-13)22-17(23)8-9-20/h1-7,10H,8,11-12H2,(H,21,24)(H,22,23)
InChIKeyYYOCPTRJNRTGAB-UHFFFAOYSA-N
XLogP2.54
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-2,3,4-trifluorobenzamide
CID 108924063
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898
N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 108923344
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924167
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
2-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 38240797
3-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923896

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide (CID 108924113) is 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1cccc(CNC(=O)Cc2ccccc2F)c1.
What is the InChIKey of 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is YYOCPTRJNRTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)11-18(24)21-12-13-4-3-6-15(10-13)22-17(23)8-9-20/h1-7,10H,8,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 325.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108924113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).