2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide

C14H17ClFNO2 — CID 146094637

IUPAC2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
SMILESCN(C(=O)CCl)C1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17ClFNO2/c1-17(14(18)9-15)12-6-7-19-13(8-12)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3
InChIKeyMZRKITYNRFRLBL-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide

2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide (PubChem CID 146094637) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
PubChem CID146094637
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide
SMILESCN(C(=O)CCl)C1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C14H17ClFNO2/c1-17(14(18)9-15)12-6-7-19-13(8-12)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3
InChIKeyMZRKITYNRFRLBL-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-4-pyrrol-1-ylbutanamide
CID 129471608
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N-methyl-3-thiophen-2-ylpropanamide
CID 125137543
N-[(2S,4S)-2-(4-fluorophenyl)oxan-4-yl]-N,3,5-trimethylbenzamide
CID 125137566
4-ethyl-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylpyridine-2-carboxamide
CID 122141274
4-ethoxy-2-(4-fluorophenyl)oxane
CID 163836652
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
5-[[[2-(4-fluorophenyl)oxan-4-yl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905156
(2R,4S)-2-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-N-methyloxan-4-amine
CID 129358384
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
4-amino-N-[(2R,4S)-2-[4-(3,5-difluorophenyl)phenyl]oxan-4-yl]-N-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 110130135
4-[(2S,4R)-4-[[4-(dimethylamino)benzoyl]-ethylamino]oxan-2-yl]-N,N-dimethylbenzamide
CID 110130622
N-[(2S,4R)-2-[4-[[cyclohexyl(methyl)amino]methyl]phenyl]oxan-4-yl]-N-ethylacetamide
CID 110130244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide (CID 146094637) is 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide is CN(C(=O)CCl)C1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide?
The InChIKey is MZRKITYNRFRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-17(14(18)9-15)12-6-7-19-13(8-12)10-2-4-11(16)5-3-10/h2-5,12-13H,6-9H2,1H3.
What are the key properties of 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide?
2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide has a molecular weight of 285.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluorophenyl)oxan-4-yl]-N-methylacetamide is sourced from PubChem (CID 146094637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).