2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide

C12H16F2N2O2 — CID 60702097

IUPAC2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-18-4-2-3-15-12(17)8-16-11-6-9(13)5-10(14)7-11/h5-7,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyJJSRVUVZHYCFMF-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.53
Rot. Bonds7

About 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide

2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 60702097) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
PubChem CID60702097
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-18-4-2-3-15-12(17)8-16-11-6-9(13)5-10(14)7-11/h5-7,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyJJSRVUVZHYCFMF-UHFFFAOYSA-N
XLogP1.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(2,3,5,6-tetrafluoroanilino)acetamide
CID 107644367
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(3-methoxypropyl)acetamide
CID 107611425
2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-N-(3-methoxypropyl)acetamide
CID 60673317
2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
N-(3-methoxypropyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54811773
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
CID 60652870
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
2-[(2,5-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 55234926
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
1-(3,5-difluorophenyl)-3-(3-methoxypropyl)thiourea
CID 17272351
N-(3-methoxypropyl)-2-(2,4,6-trichloroanilino)acetamide
CID 61486510
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide (CID 60702097) is 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is JJSRVUVZHYCFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-4-2-3-15-12(17)8-16-11-6-9(13)5-10(14)7-11/h5-7,16H,2-4,8H2,1H3,(H,15,17).
What are the key properties of 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide?
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 258.27 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60702097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).