N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide

C13H14FN3O2 — CID 66427683

IUPACN-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
SMILESN#Cc1cc(NC(=O)CC2CNCCO2)ccc1F
InChIInChI=1S/C13H14FN3O2/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18)
InChIKeyXISTYSUEBLWRNP-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.01
Rot. Bonds3

About N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide

N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide (PubChem CID 66427683) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
PubChem CID66427683
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide
SMILESN#Cc1cc(NC(=O)CC2CNCCO2)ccc1F
InChIInChI=1S/C13H14FN3O2/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18)
InChIKeyXISTYSUEBLWRNP-UHFFFAOYSA-N
XLogP1.01
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764
N-(3,4-dichlorophenyl)-2-morpholin-2-ylacetamide
CID 66435697
N-(3-iodo-4-methylphenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119680387
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119669231
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-morpholin-2-ylacetamide
CID 66435503
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
N-(3-methyl-4-nitrophenyl)-2-morpholin-2-ylacetamide
CID 66428523
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-[4-(diethylamino)phenyl]-2-morpholin-2-ylacetamide
CID 66434949

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide (CID 66427683) is N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide is N#Cc1cc(NC(=O)CC2CNCCO2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide?
The InChIKey is XISTYSUEBLWRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-12-2-1-10(5-9(12)7-15)17-13(18)6-11-8-16-3-4-19-11/h1-2,5,11,16H,3-4,6,8H2,(H,17,18).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide?
N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide has a molecular weight of 263.27 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66427683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).