2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

C13H16FNO2 — CID 78957558

IUPAC2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccc(F)cc2)COC1
InChIInChI=1S/C13H16FNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZKPWVYCLQZUCNN-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.52
Rot. Bonds4

About 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 78957558) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID78957558
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccc(F)cc2)COC1
InChIInChI=1S/C13H16FNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyZKPWVYCLQZUCNN-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
2-(3-hydroxyphenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957138
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-(4-chlorophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 77089318
N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]acetamide
CID 91836143
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111829117
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311970
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
1-(4-fluorophenyl)-5-methyl-N-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
CID 86942171
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 71915475

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 78957558) is 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is CC1(CNC(=O)Cc2ccc(F)cc2)COC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is ZKPWVYCLQZUCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(8-17-9-13)7-15-12(16)6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 237.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 78957558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).