N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide

C17H17ClFNO2 — CID 21411018

IUPACN-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-12(21)20-10-11-22-17(13-6-8-14(19)9-7-13)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyQFDPFAXXTSIUEF-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.72
Rot. Bonds6

About N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide

N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide (PubChem CID 21411018) has the molecular formula C17H17ClFNO2 and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide
PubChem CID21411018
Molecular FormulaC17H17ClFNO2
Molecular Weight321.78 g/mol
Exact Mass321.09
IUPAC NameN-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide
SMILESCC(=O)NCCOC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H17ClFNO2/c1-12(21)20-10-11-22-17(13-6-8-14(19)9-7-13)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,20,21)
InChIKeyQFDPFAXXTSIUEF-UHFFFAOYSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide (CID 21411018) is N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide is CC(=O)NCCOC(c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide?
The InChIKey is QFDPFAXXTSIUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2/c1-12(21)20-10-11-22-17(13-6-8-14(19)9-7-13)15-4-2-3-5-16(15)18/h2-9,17H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide?
N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)-(4-fluorophenyl)methoxy]ethyl]acetamide is sourced from PubChem (CID 21411018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).