N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide

C13H19FN2O2 — CID 112722635

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-10-3-4-11(7-12(10)14)8-16-13(17)9-15-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyRUAPIFJWLBDDKX-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.99
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 112722635) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID112722635
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-10-3-4-11(7-12(10)14)8-16-13(17)9-15-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17)
InChIKeyRUAPIFJWLBDDKX-UHFFFAOYSA-N
XLogP0.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
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)acetamide
CID 78908414
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
2-(2-methoxyethylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 79282648
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119702529
methyl 2-fluoro-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 106700421
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774859
3-[[[2-(2-methoxyethylamino)acetyl]amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722835
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 119842558
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide (CID 112722635) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is RUAPIFJWLBDDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10-3-4-11(7-12(10)14)8-16-13(17)9-15-5-6-18-2/h3-4,7,15H,5-6,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 254.30 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 112722635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).