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

C13H15ClFNO2 — CID 166403727

IUPAC2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
SMILESO=C(CCl)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H15ClFNO2/c14-9-12(17)16-13(5-7-18-8-6-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyLINGMZMECRHVMN-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.19
Rot. Bonds3

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

2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide (PubChem CID 166403727) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
PubChem CID166403727
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
SMILESO=C(CCl)NC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C13H15ClFNO2/c14-9-12(17)16-13(5-7-18-8-6-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17)
InChIKeyLINGMZMECRHVMN-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86898610
2-chloro-1-[4-(4-fluorophenyl)oxan-4-yl]ethanone
CID 20628028
2-chloro-N-[3-(4-methylsulfonylphenyl)oxolan-3-yl]acetamide
CID 146107312
N-[4-(4-fluorophenyl)oxan-4-yl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 86898620
N-[4-[4-[(E)-[(S)-tert-butylsulfinyl]iminomethyl]phenyl]oxan-4-yl]-2-chloroacetamide
CID 156734342
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[1-(4-fluorophenyl)cyclopropyl]-2-(methylamino)acetamide
CID 110460355
(2R)-N-[4-(4-fluorophenyl)oxan-4-yl]-2-pyrrol-1-ylpropanamide
CID 129434086
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215
N-[1-(4-fluorophenyl)cyclopentyl]-3-oxobutanamide
CID 110477392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide (CID 166403727) is 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide is O=C(CCl)NC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide?
The InChIKey is LINGMZMECRHVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-9-12(17)16-13(5-7-18-8-6-13)10-1-3-11(15)4-2-10/h1-4H,5-9H2,(H,16,17).
What are the key properties of 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide?
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide has a molecular weight of 271.72 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide is sourced from PubChem (CID 166403727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).