3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C17H19FN2O — CID 43309193

IUPAC3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H19FN2O/c1-20(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)19/h2-8,11H,9-10,12,19H2,1H3
InChIKeyMEDPXAMJAQJKQA-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.00
Rot. Bonds5

About 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 43309193) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID43309193
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1ccccc1N
InChIInChI=1S/C17H19FN2O/c1-20(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)19/h2-8,11H,9-10,12,19H2,1H3
InChIKeyMEDPXAMJAQJKQA-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 107272887
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpropanamide;hydrochloride
CID 120608250
2-(2-aminophenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 28801945
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
3-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 78829784
3-(2-aminophenyl)-N-methyl-N-[(4-methylsulfinylphenyl)methyl]propanamide
CID 120611456
3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 120608876
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
2-(2-aminophenyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 61117260

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 43309193) is 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1cccc(F)c1)C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is MEDPXAMJAQJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-20(12-13-5-4-7-15(18)11-13)17(21)10-9-14-6-2-3-8-16(14)19/h2-8,11H,9-10,12,19H2,1H3.
What are the key properties of 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 286.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43309193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).