N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide

C12H14F4N2O2 — CID 107644367

IUPACN-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
SMILESCOCCCNC(=O)CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O2/c1-20-4-2-3-17-9(19)6-18-12-10(15)7(13)5-8(14)11(12)16/h5,18H,2-4,6H2,1H3,(H,17,19)
InChIKeyYJPSOXHCMHVCDX-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.81
Rot. Bonds7

About N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide

N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide (PubChem CID 107644367) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
PubChem CID107644367
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC NameN-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
SMILESCOCCCNC(=O)CNc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H14F4N2O2/c1-20-4-2-3-17-9(19)6-18-12-10(15)7(13)5-8(14)11(12)16/h5,18H,2-4,6H2,1H3,(H,17,19)
InChIKeyYJPSOXHCMHVCDX-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-(2-bromo-4,6-difluoroanilino)-N-(2-methoxyethyl)acetamide
CID 54956526
2-(2,5-dimethylanilino)-N-(3-methoxypropyl)acetamide
CID 39353588
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81348232
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)acetamide
CID 60652992

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide (CID 107644367) is N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide is COCCCNC(=O)CNc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide?
The InChIKey is YJPSOXHCMHVCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c1-20-4-2-3-17-9(19)6-18-12-10(15)7(13)5-8(14)11(12)16/h5,18H,2-4,6H2,1H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide?
N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide has a molecular weight of 294.25 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide is sourced from PubChem (CID 107644367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).