3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide

C13H19FN2O — CID 62833982

IUPAC3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-15-7-6-13(17)16-9-11-5-4-10(2)12(14)8-11/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyHSAJHAWKQADNAV-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.75
Rot. Bonds6

About 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide

3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (PubChem CID 62833982) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
PubChem CID62833982
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCCNCCC(=O)NCc1ccc(C)c(F)c1
InChIInChI=1S/C13H19FN2O/c1-3-15-7-6-13(17)16-9-11-5-4-10(2)12(14)8-11/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyHSAJHAWKQADNAV-UHFFFAOYSA-N
XLogP1.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
2-(azetidin-3-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 64616556
3-[(4-bromo-3-fluorophenyl)methylamino]-N-ethylpropanamide
CID 113409631
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 112722635
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 34314546
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
N-[(3-fluoro-4-methylphenyl)methyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43394169

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (CID 62833982) is 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide is CCNCCC(=O)NCc1ccc(C)c(F)c1.
What is the InChIKey of 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The InChIKey is HSAJHAWKQADNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-15-7-6-13(17)16-9-11-5-4-10(2)12(14)8-11/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide has a molecular weight of 238.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 62833982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).