3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide

C13H18F2N2O2 — CID 115618231

IUPAC3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-19-8-7-17-12(18)5-6-16-9-10-3-2-4-11(14)13(10)15/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyYQVRUOZSRQVCQE-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.21
Rot. Bonds8

About 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115618231) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115618231
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-19-8-7-17-12(18)5-6-16-9-10-3-2-4-11(14)13(10)15/h2-4,16H,5-9H2,1H3,(H,17,18)
InChIKeyYQVRUOZSRQVCQE-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115972838
2-(2,3-difluorophenyl)-N-[2-(2-methoxyethylamino)ethyl]acetamide
CID 82994529
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
3-[2-(2-fluorophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 109015003
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115695765
N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
3-(2,6-diethylanilino)-N-(2-methoxyethyl)propanamide
CID 109015061
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
N-(2-methoxyethyl)-3-(1H-pyrrol-3-ylmethylamino)propanamide
CID 115686119

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide (CID 115618231) is 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1cccc(F)c1F.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is YQVRUOZSRQVCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-19-8-7-17-12(18)5-6-16-9-10-3-2-4-11(14)13(10)15/h2-4,16H,5-9H2,1H3,(H,17,18).
What are the key properties of 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 272.29 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).