2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

C13H18FN3O3 — CID 107695387

IUPAC2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNCc1cc(F)ccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C13H18FN3O3/c1-8(12(18)17-13(19)16-3)20-11-5-4-10(14)6-9(11)7-15-2/h4-6,8,15H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOXANKMOXNQPEKH-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.77
Rot. Bonds5

About 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide

2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (PubChem CID 107695387) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
PubChem CID107695387
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
SMILESCNCc1cc(F)ccc1OC(C)C(=O)NC(=O)NC
InChIInChI=1S/C13H18FN3O3/c1-8(12(18)17-13(19)16-3)20-11-5-4-10(14)6-9(11)7-15-2/h4-6,8,15H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOXANKMOXNQPEKH-UHFFFAOYSA-N
XLogP0.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanamide
CID 107695175
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(methylcarbamoyl)propanamide
CID 63366328
2-[4-bromo-2-(ethylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43277501
2-[2-(aminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 43115833
2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
CID 107695075
2-[2-(2-hydroxyethyl)phenoxy]-N-(methylcarbamoyl)propanamide
CID 107713094
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-methylpropanamide
CID 43277867
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 43122504
N-(methylcarbamoyl)-2-(2-methylphenoxy)propanamide
CID 60625654
2-fluoro-6-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107013997

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide (CID 107695387) is 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is CNCc1cc(F)ccc1OC(C)C(=O)NC(=O)NC.
What is the InChIKey of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
The InChIKey is OXANKMOXNQPEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-8(12(18)17-13(19)16-3)20-11-5-4-10(14)6-9(11)7-15-2/h4-6,8,15H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide?
2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide has a molecular weight of 283.30 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(methylaminomethyl)phenoxy]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 107695387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).