3-(2-amino-4-fluoro-5-methylanilino)propanamide

C10H14FN3O — CID 103589966

IUPAC3-(2-amino-4-fluoro-5-methylanilino)propanamide
SMILESCc1cc(NCCC(N)=O)c(N)cc1F
InChIInChI=1S/C10H14FN3O/c1-6-4-9(8(12)5-7(6)11)14-3-2-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeySPFIWQORLXRFJX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.00
Rot. Bonds4

About 3-(2-amino-4-fluoro-5-methylanilino)propanamide

3-(2-amino-4-fluoro-5-methylanilino)propanamide (PubChem CID 103589966) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(2-amino-4-fluoro-5-methylanilino)propanamide.

Molecular Properties

Compound Name3-(2-amino-4-fluoro-5-methylanilino)propanamide
PubChem CID103589966
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-(2-amino-4-fluoro-5-methylanilino)propanamide
SMILESCc1cc(NCCC(N)=O)c(N)cc1F
InChIInChI=1S/C10H14FN3O/c1-6-4-9(8(12)5-7(6)11)14-3-2-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15)
InChIKeySPFIWQORLXRFJX-UHFFFAOYSA-N
XLogP1.00
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-fluoro-5-methylanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-amino-4-fluoro-5-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 103590704
ethyl 4-(2-amino-4-fluoro-5-methylanilino)butanoate
CID 103590466
3-(2-amino-5-ethoxy-4-fluoroanilino)propanamide
CID 63594462
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964
4-fluoro-1-N-hexyl-5-methylbenzene-1,2-diamine
CID 103590438
1-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-2-ol
CID 103590481
4-[2-(2-amino-4-fluoro-5-methylanilino)ethyl]phenol
CID 103590041
4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813
3-[2-(2-amino-4-fluoro-5-methylanilino)ethylsulfanyl]propan-1-ol
CID 114171723
3-[(5-fluoro-1,6-dimethylindazol-3-yl)amino]propanamide
CID 177012069
3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
3-(2-amino-4-fluoro-5-methylanilino)-2-methylpropan-1-ol
CID 103590479

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluoro-5-methylanilino)propanamide?
The IUPAC name of 3-(2-amino-4-fluoro-5-methylanilino)propanamide (CID 103589966) is 3-(2-amino-4-fluoro-5-methylanilino)propanamide.
What is the SMILES notation for 3-(2-amino-4-fluoro-5-methylanilino)propanamide?
The canonical SMILES for 3-(2-amino-4-fluoro-5-methylanilino)propanamide is Cc1cc(NCCC(N)=O)c(N)cc1F.
What is the InChIKey of 3-(2-amino-4-fluoro-5-methylanilino)propanamide?
The InChIKey is SPFIWQORLXRFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-6-4-9(8(12)5-7(6)11)14-3-2-10(13)15/h4-5,14H,2-3,12H2,1H3,(H2,13,15).
What are the key properties of 3-(2-amino-4-fluoro-5-methylanilino)propanamide?
3-(2-amino-4-fluoro-5-methylanilino)propanamide has a molecular weight of 211.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluoro-5-methylanilino)propanamide is sourced from PubChem (CID 103589966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).