N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide

C10H11ClFNO2 — CID 57068637

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-6-10(14)13-5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyNUTIUYAKOOTYAG-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.74
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide

N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide (PubChem CID 57068637) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide
PubChem CID57068637
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C10H11ClFNO2/c1-15-6-10(14)13-5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyNUTIUYAKOOTYAG-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide (CID 57068637) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide is COCC(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide?
The InChIKey is NUTIUYAKOOTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c1-15-6-10(14)13-5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide?
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide has a molecular weight of 231.65 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 57068637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).