3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide

C13H18F2N2O2 — CID 115582033

IUPAC3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-2-17-13(19)5-6-16-8-12(18)9-3-4-10(14)11(15)7-9/h3-4,7,12,16,18H,2,5-6,8H2,1H3,(H,17,19)
InChIKeyFSMZXWNLLBPXCG-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.11
Rot. Bonds7

About 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide

3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide (PubChem CID 115582033) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
PubChem CID115582033
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)CCNCC(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-2-17-13(19)5-6-16-8-12(18)9-3-4-10(14)11(15)7-9/h3-4,7,12,16,18H,2,5-6,8H2,1H3,(H,17,19)
InChIKeyFSMZXWNLLBPXCG-UHFFFAOYSA-N
XLogP1.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide 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

N-[2-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]ethyl]methanesulfonamide
CID 54938960
2-(2-cyclopentylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 54932887
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
N-[2-[[2-(4-fluoro-3-methylphenyl)-2-hydroxyethyl]amino]ethyl]acetamide
CID 82314995
1-(4-fluoro-3-methylphenyl)-2-(propylamino)ethanol
CID 62772558
1-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylpentan-2-ol
CID 107152523
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-4-ethyl-5-propylthiophene-2-carboxamide
CID 55652795
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8638855
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 42959545

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide?
The IUPAC name of 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide (CID 115582033) is 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide is CCNC(=O)CCNCC(O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide?
The InChIKey is FSMZXWNLLBPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-17-13(19)5-6-16-8-12(18)9-3-4-10(14)11(15)7-9/h3-4,7,12,16,18H,2,5-6,8H2,1H3,(H,17,19).
What are the key properties of 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide?
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide has a molecular weight of 272.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 115582033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).