N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide

C20H14FN3O2 — CID 94798584

IUPACN-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1F
InChIInChI=1S/C20H14FN3O2/c1-12(25)23-19-10-14(6-8-16(19)21)20(26)15(11-22)18-9-7-13-4-2-3-5-17(13)24-18/h2-10,15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyNMWDIRXJUDZRCO-OAHLLOKOSA-N
MW347.35 g/mol
LogP3.82
Rot. Bonds4

About N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide

N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide (PubChem CID 94798584) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide
PubChem CID94798584
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC NameN-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1F
InChIInChI=1S/C20H14FN3O2/c1-12(25)23-19-10-14(6-8-16(19)21)20(26)15(11-22)18-9-7-13-4-2-3-5-17(13)24-18/h2-10,15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyNMWDIRXJUDZRCO-OAHLLOKOSA-N
XLogP3.82
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-cyano-2-quinolin-2-ylacetyl)-2-fluorophenyl]acetamide
CID 47073616
(2R)-2-cyano-N-(2-methoxyphenyl)-2-quinolin-2-ylacetamide
CID 97252749
(2S)-3-(7-bromo-2-methylquinolin-4-yl)-3-oxo-2-quinolin-2-ylpropanenitrile
CID 94548728
N-[(3R)-3-cyano-2-oxo-3-quinolin-2-ylpropyl]-3,3-dimethylbutanamide
CID 94800890
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
2-cyano-N-(2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)acetamide
CID 86781330
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide
CID 11162289
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
3-acetamido-N-[1-benzofuran-2-yl(phenyl)methyl]-4-fluorobenzamide
CID 60569246

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide (CID 94798584) is N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide is CC(=O)Nc1cc(C(=O)[C@H](C#N)c2ccc3ccccc3n2)ccc1F.
What is the InChIKey of N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide?
The InChIKey is NMWDIRXJUDZRCO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12(25)23-19-10-14(6-8-16(19)21)20(26)15(11-22)18-9-7-13-4-2-3-5-17(13)24-18/h2-10,15H,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide?
N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide has a molecular weight of 347.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-cyano-2-quinolin-2-ylacetyl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 94798584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).