2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide

C15H14ClFN2O2 — CID 115761971

IUPAC2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-1-6-14(17)10(7-11)8-19-12-2-4-13(5-3-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGDSQMZSLERHTEA-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide

2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide (PubChem CID 115761971) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
PubChem CID115761971
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide
SMILESNC(=O)COc1ccc(NCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H14ClFN2O2/c16-11-1-6-14(17)10(7-11)8-19-12-2-4-13(5-3-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyGDSQMZSLERHTEA-UHFFFAOYSA-N
XLogP2.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290
2-[4-[(3,5-difluorophenyl)methylamino]phenoxy]acetamide
CID 103851337
2-[4-[(2,6-difluorophenyl)methylamino]phenoxy]acetamide
CID 43711028
2-[4-[(3-chloro-5-fluoroanilino)methyl]phenoxy]acetamide
CID 103818405
2-[4-chloro-2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]phenoxy]acetamide
CID 17057899
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[4-[(3-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 43711101
2-[4-[(3-bromo-2-hydroxyphenyl)methylamino]phenoxy]acetamide
CID 61390811
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
2-[4-[(4,5-dibromofuran-2-yl)methylamino]phenoxy]acetamide
CID 62083592
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
CID 66160120

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide (CID 115761971) is 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide is NC(=O)COc1ccc(NCc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide?
The InChIKey is GDSQMZSLERHTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-11-1-6-14(17)10(7-11)8-19-12-2-4-13(5-3-12)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide?
2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide has a molecular weight of 308.74 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenoxy]acetamide is sourced from PubChem (CID 115761971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).