5-amino-2,4-difluoro-N-hexylbenzamide

C13H18F2N2O — CID 61113245

IUPAC5-amino-2,4-difluoro-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-5-6-17-13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyHAKSOVAPIRRZRM-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.86
Rot. Bonds6

About 5-amino-2,4-difluoro-N-hexylbenzamide

5-amino-2,4-difluoro-N-hexylbenzamide (PubChem CID 61113245) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-hexylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-hexylbenzamide
PubChem CID61113245
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-amino-2,4-difluoro-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-2-3-4-5-6-17-13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyHAKSOVAPIRRZRM-UHFFFAOYSA-N
XLogP2.86
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
5-amino-2,4-difluoro-N-(3-methylsulfinylpropyl)benzamide
CID 113487107
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
5-amino-2,4-difluoro-N-(2-sulfamoylethyl)benzamide
CID 61094642
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
2,4-diamino-N-hexylbenzamide
CID 61111728

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-hexylbenzamide?
The IUPAC name of 5-amino-2,4-difluoro-N-hexylbenzamide (CID 61113245) is 5-amino-2,4-difluoro-N-hexylbenzamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-hexylbenzamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-hexylbenzamide is CCCCCCNC(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-hexylbenzamide?
The InChIKey is HAKSOVAPIRRZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-3-4-5-6-17-13(18)9-7-12(16)11(15)8-10(9)14/h7-8H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2,4-difluoro-N-hexylbenzamide?
5-amino-2,4-difluoro-N-hexylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-hexylbenzamide is sourced from PubChem (CID 61113245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).