1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone

C11H13ClFNO2 — CID 105396519

IUPAC1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-16-5-4-14-7-11(15)9-6-8(13)2-3-10(9)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFYGGZJUDMHTMOS-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone

1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone (PubChem CID 105396519) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
PubChem CID105396519
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO2/c1-16-5-4-14-7-11(15)9-6-8(13)2-3-10(9)12/h2-3,6,14H,4-5,7H2,1H3
InChIKeyFYGGZJUDMHTMOS-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
N-[bis(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 119748317
N-(2,6-dichloro-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 83078795
1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591470
N-(2,4-difluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673290
1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
CID 105396403
2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116591610
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone (CID 105396519) is 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is FYGGZJUDMHTMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-16-5-4-14-7-11(15)9-6-8(13)2-3-10(9)12/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone?
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 245.68 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 105396519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).