1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one

C11H13ClFNO — CID 105396438

IUPAC1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c1-2-14-6-5-11(15)9-7-8(13)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyAFDBYKRJFJWFMF-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one

1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one (PubChem CID 105396438) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
PubChem CID105396438
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
SMILESCCNCCC(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H13ClFNO/c1-2-14-6-5-11(15)9-7-8(13)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3
InChIKeyAFDBYKRJFJWFMF-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4-(ethylamino)butan-2-one
CID 102622099
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
1-(3,5-difluorophenyl)-3-(ethylamino)propan-1-one
CID 116565909
5-amino-1-(2-chloro-5-fluorophenyl)pentan-1-one
CID 105396458
1-(2,5-difluorophenyl)-3-(methylamino)propan-1-one
CID 82112284
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
1-(2-chloro-4-fluorophenyl)propan-1-one
CID 19009630
methyl 2-[3-(ethylamino)propanoylamino]-4-fluorobenzoate
CID 55121672

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one (CID 105396438) is 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one is CCNCCC(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one?
The InChIKey is AFDBYKRJFJWFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-14-6-5-11(15)9-7-8(13)3-4-10(9)12/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one?
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one has a molecular weight of 229.68 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one is sourced from PubChem (CID 105396438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).