N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide

C13H16FNO2 — CID 146022376

IUPACN-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCCc2ccc(F)cc2)COC1
InChIInChI=1S/C13H16FNO2/c1-13(8-17-9-13)12(16)15-7-6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyAHNJHQYRZJNAQM-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide

N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide (PubChem CID 146022376) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
PubChem CID146022376
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)NCCc2ccc(F)cc2)COC1
InChIInChI=1S/C13H16FNO2/c1-13(8-17-9-13)12(16)15-7-6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16)
InChIKeyAHNJHQYRZJNAQM-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

Analyze N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide 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-(4-fluorophenyl)ethyl]-2-[methyl-[(3-methyloxetan-3-yl)methyl]amino]acetamide
CID 91836143
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
2-(4-fluorophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78957558
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
methyl 2-[2-(4-fluorophenyl)ethylamino]-2-oxoacetate
CID 112616592
N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438088
N-[2-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17172904
N-[2-(4-hydroxyphenyl)ethyl]-4-methyldithiolane-4-carboxamide
CID 45111583
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
N'-[2-(4-fluorophenyl)ethyl]-N-(2-phenylethyl)oxamide
CID 3117526
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide (CID 146022376) is N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide is CC1(C(=O)NCCc2ccc(F)cc2)COC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide?
The InChIKey is AHNJHQYRZJNAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-13(8-17-9-13)12(16)15-7-6-10-2-4-11(14)5-3-10/h2-5H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide 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 N-[2-(4-fluorophenyl)ethyl]-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 146022376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).