2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide

C15H20FNO3 — CID 115955801

IUPAC2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C15H20FNO3/c1-4-12(5-2)17-15(19)10(3)20-14-11(9-18)7-6-8-13(14)16/h6-10,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyDMSRKVMIAOIENS-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.71
Rot. Bonds7

About 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide

2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide (PubChem CID 115955801) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
PubChem CID115955801
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1c(F)cccc1C=O
InChIInChI=1S/C15H20FNO3/c1-4-12(5-2)17-15(19)10(3)20-14-11(9-18)7-6-8-13(14)16/h6-10,12H,4-5H2,1-3H3,(H,17,19)
InChIKeyDMSRKVMIAOIENS-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
N-carbamoyl-2-(2-fluoro-6-formylphenoxy)propanamide
CID 112611670
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
(E)-3-[3-fluoro-2-[1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]prop-2-enoic acid
CID 112614255
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
CID 112611562
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide (CID 115955801) is 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1c(F)cccc1C=O.
What is the InChIKey of 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide?
The InChIKey is DMSRKVMIAOIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-4-12(5-2)17-15(19)10(3)20-14-11(9-18)7-6-8-13(14)16/h6-10,12H,4-5H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide?
2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 115955801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).