3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide

C10H13FN2O2 — CID 65096717

IUPAC3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)cc1F
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14)
InChIKeyDRSCNIIEVBUESZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide

3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 65096717) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID65096717
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(N)CC(N)=O)cc1F
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14)
InChIKeyDRSCNIIEVBUESZ-UHFFFAOYSA-N
XLogP0.71
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
6-amino-6-(3-fluoro-4-methoxyphenyl)hexanamide
CID 60860844
5-amino-5-(3-fluoro-4-methoxyphenyl)-3,3-dimethylpentanamide
CID 62934355
1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 105004270
(1S)-1-(3-fluoro-4-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171221019
3-(3-fluoro-4-methoxyphenyl)-3-(methylamino)propanamide
CID 65236183
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
ethyl 5-amino-5-(3-fluoro-4-methoxyphenyl)-3-methylpentanoate
CID 62941655
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 65096717) is 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide is COc1ccc(C(N)CC(N)=O)cc1F.
What is the InChIKey of 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is DRSCNIIEVBUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-15-9-3-2-6(4-7(9)11)8(12)5-10(13)14/h2-4,8H,5,12H2,1H3,(H2,13,14).
What are the key properties of 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide?
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 212.22 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 65096717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).