N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide

C12H17FN2O — CID 115632183

IUPACN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1cc(C)ccc1F
InChIInChI=1S/C12H17FN2O/c1-3-15-12(16)8-14-7-10-6-9(2)4-5-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyGYDOREURKWFKSI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.36
Rot. Bonds5

About N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide

N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide (PubChem CID 115632183) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
PubChem CID115632183
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide
SMILESCCNC(=O)CNCc1cc(C)ccc1F
InChIInChI=1S/C12H17FN2O/c1-3-15-12(16)8-14-7-10-6-9(2)4-5-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyGYDOREURKWFKSI-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide 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-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-ethyl-2-[(2-methoxy-5-methylphenyl)methylamino]acetamide
CID 43406781
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]-N-methylacetamide
CID 104923539
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957
2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
2-[(2,5-difluorophenyl)methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95126403
3-[(2-fluoro-5-methylphenyl)methyl]-1-hydroxy-1-methylurea
CID 59946035
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide (CID 115632183) is N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide is CCNC(=O)CNCc1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide?
The InChIKey is GYDOREURKWFKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-15-12(16)8-14-7-10-6-9(2)4-5-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide?
N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluoro-5-methylphenyl)methylamino]acetamide is sourced from PubChem (CID 115632183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).