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

C11H11ClFNO — CID 105396403

IUPAC1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO/c12-10-4-1-7(13)5-9(10)11(15)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyXWJYGODATZFTIF-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.41
Rot. Bonds4

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

1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone (PubChem CID 105396403) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
PubChem CID105396403
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone
SMILESO=C(CNC1CC1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO/c12-10-4-1-7(13)5-9(10)11(15)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyXWJYGODATZFTIF-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
2-(tert-butylamino)-1-(2-chloro-5-fluorophenyl)ethanone
CID 105396510
4-[(2-chloro-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 102616799
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
1-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)ethanone
CID 105396519
N-(2-chloro-4-fluorophenyl)-3-(cyclopropylamino)propanamide
CID 54920451
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
1-(2-chloro-5-fluorophenyl)-3-(ethylamino)propan-1-one
CID 105396438
1-(cyclopropylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114350364
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
1-(2-chloro-5-fluorophenyl)-3-methylsulfanylpropan-1-one
CID 105396768
1-(2-chloro-5-fluorophenyl)-2-phenylethanone
CID 105394173

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone (CID 105396403) is 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone is O=C(CNC1CC1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone?
The InChIKey is XWJYGODATZFTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c12-10-4-1-7(13)5-9(10)11(15)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone?
1-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)ethanone has a molecular weight of 227.67 g/mol, XLogP of 2.41, 4 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)-2-(cyclopropylamino)ethanone is sourced from PubChem (CID 105396403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).