N-[4-[chloro(difluoro)methoxy]phenyl]acetamide

C9H8ClF2NO2 — CID 895496

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C9H8ClF2NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyRNAQYXPBRBVEBQ-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.81
Rot. Bonds3

About N-[4-[chloro(difluoro)methoxy]phenyl]acetamide

N-[4-[chloro(difluoro)methoxy]phenyl]acetamide (PubChem CID 895496) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]acetamide
PubChem CID895496
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C9H8ClF2NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyRNAQYXPBRBVEBQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]acetamide (CID 895496) is N-[4-[chloro(difluoro)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]acetamide is CC(=O)Nc1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]acetamide?
The InChIKey is RNAQYXPBRBVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-6(14)13-7-2-4-8(5-3-7)15-9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]acetamide?
N-[4-[chloro(difluoro)methoxy]phenyl]acetamide has a molecular weight of 235.62 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]acetamide is sourced from PubChem (CID 895496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).