N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

C13H19FN2O2 — CID 78914133

IUPACN-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-5-3-4-6-12(11)14/h3-6,15H,7-10H2,1-2H3
InChIKeyCNDOJDWTMSENQA-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.02
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide

N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 78914133) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID78914133
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-5-3-4-6-12(11)14/h3-6,15H,7-10H2,1-2H3
InChIKeyCNDOJDWTMSENQA-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
2-[[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466993
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119767630
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 78914133) is N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)Cc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is CNDOJDWTMSENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-16(13(17)9-15-7-8-18-2)10-11-5-3-4-6-12(11)14/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 78914133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).