N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide

C17H14FN3O2 — CID 113002054

IUPACN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-13(8-14)9-16(22)20-11-17(23)21-15-6-4-12(10-19)5-7-15/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyXJWUDXZXKIALHL-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.99
Rot. Bonds5

About N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide

N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 113002054) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
PubChem CID113002054
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H14FN3O2/c18-14-3-1-2-13(8-14)9-16(22)20-11-17(23)21-15-6-4-12(10-19)5-7-15/h1-8H,9,11H2,(H,20,22)(H,21,23)
InChIKeyXJWUDXZXKIALHL-UHFFFAOYSA-N
XLogP1.99
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-cyanoanilino)phenyl]-2-(3-fluorophenyl)acetamide
CID 112990067
N-[2-[4-(diethylamino)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 113000132
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113001924
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
N-[3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 55828959
N-[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55789946
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
2-(3-fluorophenyl)-N-[2-oxo-2-[3-(2-pyridin-2-ylethynyl)anilino]ethyl]acetamide
CID 55824933
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-[[2-(3-fluorophenyl)acetyl]amino]benzoic acid
CID 18070264
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
N-[2-(4-ethylanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996808

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide (CID 113002054) is N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide is N#Cc1ccc(NC(=O)CNC(=O)Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is XJWUDXZXKIALHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-3-1-2-13(8-14)9-16(22)20-11-17(23)21-15-6-4-12(10-19)5-7-15/h1-8H,9,11H2,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide?
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 311.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 113002054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).