2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide

C10H8F5NO2 — CID 113225588

IUPAC2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCOC(C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NO2/c1-3(18-2)10(17)16-9-7(14)5(12)4(11)6(13)8(9)15/h3H,1-2H3,(H,16,17)
InChIKeyRTAPCLHLANWZQE-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.36
Rot. Bonds3

About 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide

2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide (PubChem CID 113225588) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
PubChem CID113225588
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Name2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
SMILESCOC(C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F5NO2/c1-3(18-2)10(17)16-9-7(14)5(12)4(11)6(13)8(9)15/h3H,1-2H3,(H,16,17)
InChIKeyRTAPCLHLANWZQE-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-methyl-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113336694
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
2-(2,4-dichlorophenoxy)-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 4249290
2-carbamothioyl-3-methyl-N-(2,3,4,5,6-pentafluorophenyl)butanamide
CID 115564576
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
1-N,2-N,3-N-tris(2,3,4,5,6-pentafluorophenyl)propane-1,2,3-tricarboxamide
CID 88545240
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
N-(2,3,4,5,6-pentafluorophenyl)-2-(propan-2-ylamino)acetamide
CID 78907367
methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate
CID 166385244
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-2-methoxypropanamide
CID 71983867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The IUPAC name of 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide (CID 113225588) is 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide.
What is the SMILES notation for 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The canonical SMILES for 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide is COC(C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
The InChIKey is RTAPCLHLANWZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-3(18-2)10(17)16-9-7(14)5(12)4(11)6(13)8(9)15/h3H,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide?
2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide has a molecular weight of 269.17 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide is sourced from PubChem (CID 113225588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).