2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide

C13H10ClFN2O2 — CID 166427655

IUPAC2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(F)Cl
InChIInChI=1S/C13H10ClFN2O2/c14-12(15)13(18)17-9-1-3-10(4-2-9)19-11-5-7-16-8-6-11/h1-8,12H,(H,17,18)
InChIKeyZHEZHOSFOTULIB-UHFFFAOYSA-N
MW280.69 g/mol
LogP3.35
Rot. Bonds4

About 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide

2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide (PubChem CID 166427655) has the molecular formula C13H10ClFN2O2 and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide
PubChem CID166427655
Molecular FormulaC13H10ClFN2O2
Molecular Weight280.69 g/mol
Exact Mass280.04
IUPAC Name2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide
SMILESO=C(Nc1ccc(Oc2ccncc2)cc1)C(F)Cl
InChIInChI=1S/C13H10ClFN2O2/c14-12(15)13(18)17-9-1-3-10(4-2-9)19-11-5-7-16-8-6-11/h1-8,12H,(H,17,18)
InChIKeyZHEZHOSFOTULIB-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
N-(4-pyridin-4-yloxyphenyl)cyclobutanecarboxamide
CID 49363610
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
1-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11531206
1-[(2S)-1-methoxypropan-2-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 95121864
N'-(3-methylphenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11359988
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49363843
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide (CID 166427655) is 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide is O=C(Nc1ccc(Oc2ccncc2)cc1)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide?
The InChIKey is ZHEZHOSFOTULIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O2/c14-12(15)13(18)17-9-1-3-10(4-2-9)19-11-5-7-16-8-6-11/h1-8,12H,(H,17,18).
What are the key properties of 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide?
2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide has a molecular weight of 280.69 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide is sourced from PubChem (CID 166427655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).