N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide

C13H18F2N2O2 — CID 110898971

IUPACN-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-2-17(3-4-18)9-13(19)16-8-10-5-11(14)7-12(15)6-10/h5-7,18H,2-4,8-9H2,1H3,(H,16,19)
InChIKeyZDLXKDNYPUEPLJ-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.90
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide (PubChem CID 110898971) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
PubChem CID110898971
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
SMILESCCN(CCO)CC(=O)NCc1cc(F)cc(F)c1
InChIInChI=1S/C13H18F2N2O2/c1-2-17(3-4-18)9-13(19)16-8-10-5-11(14)7-12(15)6-10/h5-7,18H,2-4,8-9H2,1H3,(H,16,19)
InChIKeyZDLXKDNYPUEPLJ-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 60685466
N-benzyl-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115666155
N-(2-bromo-4,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 111519510
N-benzyl-2-[ethyl(propyl)amino]acetamide
CID 142231835
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 120872604
2-[2-aminoethyl(2-phenylethyl)amino]-N-[(3,5-difluorophenyl)methyl]acetamide;hydrochloride
CID 120872603
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-[ethyl(2-hydroxyethyl)amino]-N-prop-2-ynylacetamide
CID 60686063
N-(2,6-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685460
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
ethane;methyl 5-[(3,5-difluorophenyl)methylamino]-2-methylidene-5-oxopentanoate
CID 156714647
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide (CID 110898971) is N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide is CCN(CCO)CC(=O)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
The InChIKey is ZDLXKDNYPUEPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-2-17(3-4-18)9-13(19)16-8-10-5-11(14)7-12(15)6-10/h5-7,18H,2-4,8-9H2,1H3,(H,16,19).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide has a molecular weight of 272.29 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide is sourced from PubChem (CID 110898971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).