2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

C12H16ClFN2O2 — CID 115695765

IUPAC2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O2/c1-18-6-5-16-11(17)8-15-7-9-3-2-4-10(13)12(9)14/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyCFKQIHXENXWWNN-UHFFFAOYSA-N
MW274.72 g/mol
LogP1.33
Rot. Bonds7

About 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 115695765) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID115695765
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1cccc(Cl)c1F
InChIInChI=1S/C12H16ClFN2O2/c1-18-6-5-16-11(17)8-15-7-9-3-2-4-10(13)12(9)14/h2-4,15H,5-8H2,1H3,(H,16,17)
InChIKeyCFKQIHXENXWWNN-UHFFFAOYSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112683507
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54832614
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
N-(2-methoxyethyl)-2-(quinolin-8-ylmethylamino)acetamide
CID 112723633
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclobutylmethylamino)acetamide
CID 130299685
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 35605521
4-[(3-chloro-2-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876397
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 115695765) is 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1cccc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CFKQIHXENXWWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-18-6-5-16-11(17)8-15-7-9-3-2-4-10(13)12(9)14/h2-4,15H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 274.72 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115695765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).