2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide

C13H17F2N3O — CID 66184313

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(F)cc(F)c1)C1CNC1
InChIInChI=1S/C13H17F2N3O/c1-2-18(12-6-16-7-12)8-13(19)17-11-4-9(14)3-10(15)5-11/h3-5,12,16H,2,6-8H2,1H3,(H,17,19)
InChIKeyREOQLTATDSEXSF-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.20
Rot. Bonds5

About 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide

2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide (PubChem CID 66184313) has the molecular formula C13H17F2N3O and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide
PubChem CID66184313
Molecular FormulaC13H17F2N3O
Molecular Weight269.29 g/mol
Exact Mass269.13
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1cc(F)cc(F)c1)C1CNC1
InChIInChI=1S/C13H17F2N3O/c1-2-18(12-6-16-7-12)8-13(19)17-11-4-9(14)3-10(15)5-11/h3-5,12,16H,2,6-8H2,1H3,(H,17,19)
InChIKeyREOQLTATDSEXSF-UHFFFAOYSA-N
XLogP1.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(ethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 66181734
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 66182176
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
3-(diethylamino)-N-(3,5-difluorophenyl)azetidine-1-carboxamide
CID 23140142
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
2-[azetidin-3-yl(ethyl)amino]acetic acid
CID 66184731
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide (CID 66184313) is 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide is CCN(CC(=O)Nc1cc(F)cc(F)c1)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is REOQLTATDSEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3O/c1-2-18(12-6-16-7-12)8-13(19)17-11-4-9(14)3-10(15)5-11/h3-5,12,16H,2,6-8H2,1H3,(H,17,19).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide?
2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 269.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 66184313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).