4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide

C12H13ClFNO3 — CID 52828159

IUPAC4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m0/s1
InChIKeyLOTZKUYOVBHHMP-NSHDSACASA-N
MW273.69 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide

4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide (PubChem CID 52828159) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
PubChem CID52828159
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESO=C(NO[C@H]1CCCCO1)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m0/s1
InChIKeyLOTZKUYOVBHHMP-NSHDSACASA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94817259
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
7-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 59696725
8-chloro-N-(oxan-2-yloxy)tetrazolo[1,5-a]quinoline-4-carboxamide
CID 11416753
5-chloro-N-cyclopentyloxy-2-fluorobenzamide
CID 83202518
1-(3-chlorophenyl)-N-(oxan-2-yloxy)-5-propan-2-ylpyrazole-4-carboxamide
CID 60612611
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
5-ethyl-2-hydroxy-N-[(2R)-oxan-2-yl]oxybenzamide
CID 95301604
N-(oxan-2-yloxy)-2-phenoxybenzamide
CID 60612521
4-chloro-2-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 42950494
3,4,6-trichloro-N-(oxan-2-yloxy)-1-benzothiophene-2-carboxamide
CID 60613090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide (CID 52828159) is 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide is O=C(NO[C@H]1CCCCO1)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide?
The InChIKey is LOTZKUYOVBHHMP-NSHDSACASA-N. The full InChI is InChI=1S/C12H13ClFNO3/c13-8-4-5-9(10(14)7-8)12(16)15-18-11-3-1-2-6-17-11/h4-5,7,11H,1-3,6H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide?
4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide has a molecular weight of 273.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2S)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 52828159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).