3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C13H16F2N2O2 — CID 107121499

IUPAC3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H16F2N2O2/c1-8(2)7-19-4-3-17-13(18)10-5-9(14)6-11(16)12(10)15/h5-6H,1,3-4,7,16H2,2H3,(H,17,18)
InChIKeyKRNNJWBUNMMSNS-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.87
Rot. Bonds6

About 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 107121499) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID107121499
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H16F2N2O2/c1-8(2)7-19-4-3-17-13(18)10-5-9(14)6-11(16)12(10)15/h5-6H,1,3-4,7,16H2,2H3,(H,17,18)
InChIKeyKRNNJWBUNMMSNS-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide 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-amino-2,5-difluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 107120993
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
3-amino-2,5-difluoro-N-(2-methylsulfanylethyl)benzamide
CID 107121095
2-chloro-4,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699924
3-amino-2,5-difluoro-N-(4-hydroxypentyl)benzamide
CID 114145958
3-amino-2,5-difluoro-N-(6-hydroxyhexyl)benzamide
CID 107843161
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]-1H-pyrazole-5-carboxamide
CID 114464789
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-2,5-difluorobenzamide
CID 107120916
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-5-nitrobenzamide
CID 115700390

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 107121499) is 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is KRNNJWBUNMMSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(2)7-19-4-3-17-13(18)10-5-9(14)6-11(16)12(10)15/h5-6H,1,3-4,7,16H2,2H3,(H,17,18).
What are the key properties of 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 107121499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).