3-(3-chlorophenyl)-3-fluoropentanamide

C11H13ClFNO — CID 68878178

IUPAC3-(3-chlorophenyl)-3-fluoropentanamide
SMILESCCC(F)(CC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H2,14,15)
InChIKeyZNGFEVYARDEURL-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.79
Rot. Bonds4

About 3-(3-chlorophenyl)-3-fluoropentanamide

3-(3-chlorophenyl)-3-fluoropentanamide (PubChem CID 68878178) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-fluoropentanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-fluoropentanamide
PubChem CID68878178
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-(3-chlorophenyl)-3-fluoropentanamide
SMILESCCC(F)(CC(N)=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClFNO/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H2,14,15)
InChIKeyZNGFEVYARDEURL-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-3-(3-chlorophenyl)pentanoic acid
CID 64665989
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
2-(3-chlorophenyl)-2-ethoxycarbonyl-4,4,4-trifluorobutanoic acid
CID 103974959
2-(3-chlorophenyl)-2-(ethylamino)butanamide
CID 60786890
ethyl 2-(3-chlorophenyl)-2-(methylamino)butanoate
CID 60788391
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-chlorophenyl)-2-cyano-2-fluoroacetic acid
CID 146447979
2-amino-2-(3-chlorophenyl)butan-1-ol
CID 61054421
ethyl 2-(3-chlorophenyl)-2-(ethylamino)butanoate
CID 60788385
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-fluoropentanamide?
The IUPAC name of 3-(3-chlorophenyl)-3-fluoropentanamide (CID 68878178) is 3-(3-chlorophenyl)-3-fluoropentanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-3-fluoropentanamide?
The canonical SMILES for 3-(3-chlorophenyl)-3-fluoropentanamide is CCC(F)(CC(N)=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-fluoropentanamide?
The InChIKey is ZNGFEVYARDEURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-2-11(13,7-10(14)15)8-4-3-5-9(12)6-8/h3-6H,2,7H2,1H3,(H2,14,15).
What are the key properties of 3-(3-chlorophenyl)-3-fluoropentanamide?
3-(3-chlorophenyl)-3-fluoropentanamide has a molecular weight of 229.68 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-fluoropentanamide is sourced from PubChem (CID 68878178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).