N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide

C13H16FNO2 — CID 110862725

IUPACN-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-4-1-5-12(8-11)15-13(16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2,(H,15,16)
InChIKeyTYXOILVBZAUHTL-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.58
Rot. Bonds3

About N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide

N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide (PubChem CID 110862725) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
PubChem CID110862725
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC NameN-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c14-11-4-1-5-12(8-11)15-13(16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2,(H,15,16)
InChIKeyTYXOILVBZAUHTL-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide 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-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
N-[1-[(3-fluorophenyl)methyl]-6-oxo-3-pyridinyl]-2-(oxan-3-yl)acetamide
CID 136568049
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 131932133
2-(cyclopropylmethylamino)-N-(3-fluorophenyl)acetamide
CID 28566886
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide (CID 110862725) is N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide?
The InChIKey is TYXOILVBZAUHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-11-4-1-5-12(8-11)15-13(16)7-10-3-2-6-17-9-10/h1,4-5,8,10H,2-3,6-7,9H2,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide?
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide has a molecular weight of 237.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110862725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).