3-amino-2,5-difluoro-N-hexan-3-ylbenzamide

C13H18F2N2O — CID 107120973

IUPAC3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H18F2N2O/c1-3-5-9(4-2)17-13(18)10-6-8(14)7-11(16)12(10)15/h6-7,9H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyOIAHQLFUZKDMPR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.86
Rot. Bonds5

About 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide

3-amino-2,5-difluoro-N-hexan-3-ylbenzamide (PubChem CID 107120973) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
PubChem CID107120973
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
SMILESCCCC(CC)NC(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H18F2N2O/c1-3-5-9(4-2)17-13(18)10-6-8(14)7-11(16)12(10)15/h6-7,9H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyOIAHQLFUZKDMPR-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
2,3,4,5-tetrafluoro-N-hexan-3-ylbenzamide
CID 176704795
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
3-amino-N-butyl-2,5-difluorobenzamide
CID 107120407
methyl 2-[(3-amino-2,5-difluorobenzoyl)amino]propanoate
CID 107120864
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
CID 62117269
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
5-amino-4-fluoro-N-hexan-3-yl-2-nitrobenzamide
CID 62161318
3-amino-5-fluoro-N-hexan-3-yl-4-methylbenzamide
CID 62092742
3-amino-2,5-difluoro-N-(4-methylsulfinylbutan-2-yl)benzamide
CID 107121447

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide (CID 107120973) is 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide is CCCC(CC)NC(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide?
The InChIKey is OIAHQLFUZKDMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-5-9(4-2)17-13(18)10-6-8(14)7-11(16)12(10)15/h6-7,9H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide?
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-hexan-3-ylbenzamide is sourced from PubChem (CID 107120973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).