2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide

C10H12ClFN2O — CID 47279643

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-14(6-10(13)15)5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H2,13,15)
InChIKeyFXQYROZOVHSHGG-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.40
Rot. Bonds4

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

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 47279643) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID47279643
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-14(6-10(13)15)5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H2,13,15)
InChIKeyFXQYROZOVHSHGG-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide (CID 47279643) is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is FXQYROZOVHSHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-14(6-10(13)15)5-7-2-3-8(12)4-9(7)11/h2-4H,5-6H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide?
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 230.67 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 47279643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).