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

C13H16FNO3 — CID 112611550

IUPAC3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(F)cccc1C=O
InChIInChI=1S/C13H16FNO3/c1-9(2)15-12(17)6-7-18-13-10(8-16)4-3-5-11(13)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyYXYDKSASWNTRAH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds6

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

3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 112611550) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
PubChem CID112611550
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1c(F)cccc1C=O
InChIInChI=1S/C13H16FNO3/c1-9(2)15-12(17)6-7-18-13-10(8-16)4-3-5-11(13)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
InChIKeyYXYDKSASWNTRAH-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
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

3-(2,4-dichloro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 55098579
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
2-(2-bromo-6-formylphenoxy)-N-propan-2-ylacetamide
CID 61391421
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
3-(2-chloro-6-formylphenoxy)-N-methylpropanamide
CID 112611514
3-fluoro-2-pent-3-ynoxybenzaldehyde
CID 104807935
2-(2-fluoro-6-formylphenoxy)-N-(2-fluorophenyl)acetamide
CID 115955813
N-cyclohexyl-2-(2-fluoro-6-formylphenoxy)acetamide
CID 115955712
2-(2-fluoro-6-formylphenoxy)-N-pentan-3-ylpropanamide
CID 115955801
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
3-fluoro-2-(1-methoxypropan-2-yloxy)benzaldehyde
CID 112611562
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide (CID 112611550) is 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1c(F)cccc1C=O.
What is the InChIKey of 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is YXYDKSASWNTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c1-9(2)15-12(17)6-7-18-13-10(8-16)4-3-5-11(13)14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide?
3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 112611550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).