2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide

C14H18F2N2O2 — CID 171334794

IUPAC2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CC(C(F)F)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-20-12-6-4-3-5-11(12)17-13(19)9-18-7-10(8-18)14(15)16/h3-6,10,14H,2,7-9H2,1H3,(H,17,19)
InChIKeyIOMBBCLNQLLZFU-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.22
Rot. Bonds6

About 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 171334794) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID171334794
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CN1CC(C(F)F)C1
InChIInChI=1S/C14H18F2N2O2/c1-2-20-12-6-4-3-5-11(12)17-13(19)9-18-7-10(8-18)14(15)16/h3-6,10,14H,2,7-9H2,1H3,(H,17,19)
InChIKeyIOMBBCLNQLLZFU-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
N-(2-ethoxyphenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
CID 90509106
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 7699408
N-(2-ethoxyphenyl)-3-methylbutanamide
CID 849236
CID 174193763
CID 174193763

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 171334794) is 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1CC(C(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is IOMBBCLNQLLZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-2-20-12-6-4-3-5-11(12)17-13(19)9-18-7-10(8-18)14(15)16/h3-6,10,14H,2,7-9H2,1H3,(H,17,19).
What are the key properties of 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 284.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)azetidin-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 171334794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).