N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide

C12H15F2N2O2+ — CID 2654003

IUPACN-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)/p+1
InChIKeyFOPWIOVSTIEYAL-UHFFFAOYSA-O
MW257.26 g/mol
LogP-0.18
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide

N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2654003) has the molecular formula C12H15F2N2O2+ and a molecular weight of 257.26 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID2654003
Molecular FormulaC12H15F2N2O2+
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)/p+1
InChIKeyFOPWIOVSTIEYAL-UHFFFAOYSA-O
XLogP-0.18
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-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

2-(azocan-1-ium-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 2655283
N-(3-fluorophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2654034
N-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 2655007
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
N-[4-[(2-morpholin-4-ium-4-ylacetyl)amino]phenyl]benzamide
CID 7141196
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742166
2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-(3,4-difluorophenyl)-2-[[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]amino]acetamide
CID 8834778
ethyl 4-[(2-morpholin-4-ium-4-ylacetyl)amino]benzoate
CID 7360402
N-(3,4-difluorophenyl)propanamide
CID 4285365

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide (CID 2654003) is N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is FOPWIOVSTIEYAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H14F2N2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)/p+1.
What are the key properties of N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 257.26 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2654003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).