1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one

C12H15ClFNO2 — CID 114863460

IUPAC1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(13)7-12(9)14/h2-3,7,15H,4-6,8H2,1H3
InChIKeyNIONFKZMRAQLCS-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.83
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one

1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one (PubChem CID 114863460) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
PubChem CID114863460
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
SMILESCOCCNCC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C12H15ClFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(13)7-12(9)14/h2-3,7,15H,4-6,8H2,1H3
InChIKeyNIONFKZMRAQLCS-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.83
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

1-(4-chloro-2-fluorophenyl)-4-methoxybutan-2-one
CID 114853710
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-2-one
CID 114863220
1-(2-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591470
1-(2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 114935457
1-(2,3-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 107311411
1-(3,4-dichlorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 116591432
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
1-(3-bromo-2,6-difluorophenyl)-3-(2-methoxyethylamino)propan-2-one
CID 106272689
2-[[2-(4-chloro-2-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 100536807
1-(2-methoxyethylamino)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591634
1-(2-methoxyethylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 116591542
N-[(4-chloro-2-fluorophenyl)methyl]-2-(2-methoxyethoxy)acetamide
CID 110482951

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one (CID 114863460) is 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one is COCCNCC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
The InChIKey is NIONFKZMRAQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-17-5-4-15-8-11(16)6-9-2-3-10(13)7-12(9)14/h2-3,7,15H,4-6,8H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one?
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one has a molecular weight of 259.71 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)propan-2-one is sourced from PubChem (CID 114863460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).