3,5-difluoro-4-(methylamino)-N-pentylbenzamide

C13H18F2N2O — CID 63183966

IUPAC3,5-difluoro-4-(methylamino)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-4-5-6-17-13(18)9-7-10(14)12(16-2)11(15)8-9/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyASSOIIIAKIUEGP-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.93
Rot. Bonds6

About 3,5-difluoro-4-(methylamino)-N-pentylbenzamide

3,5-difluoro-4-(methylamino)-N-pentylbenzamide (PubChem CID 63183966) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-pentylbenzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-pentylbenzamide
PubChem CID63183966
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3,5-difluoro-4-(methylamino)-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cc(F)c(NC)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-3-4-5-6-17-13(18)9-7-10(14)12(16-2)11(15)8-9/h7-8,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyASSOIIIAKIUEGP-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-(methylamino)-N-(3-propoxypropyl)benzamide
CID 82946466
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3,4-difluoro-N-heptylbenzamide
CID 91717416
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
3,5-difluoro-4-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 63183539
3,5-difluoro-4-(methylamino)-N-pentan-3-ylbenzamide
CID 55157890
N,N-dibutyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187331
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
3,5-difluoro-4-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 63184958
3,5-difluoro-4-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
CID 63185327
N-(2-butoxyethyl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186654

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-pentylbenzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-pentylbenzamide (CID 63183966) is 3,5-difluoro-4-(methylamino)-N-pentylbenzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-pentylbenzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-pentylbenzamide is CCCCCNC(=O)c1cc(F)c(NC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-pentylbenzamide?
The InChIKey is ASSOIIIAKIUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-4-5-6-17-13(18)9-7-10(14)12(16-2)11(15)8-9/h7-8,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-pentylbenzamide?
3,5-difluoro-4-(methylamino)-N-pentylbenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-pentylbenzamide is sourced from PubChem (CID 63183966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).