N-(2-amino-4,6-difluorophenyl)octanamide

C14H20F2N2O — CID 81314143

IUPACN-(2-amino-4,6-difluorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-2-3-4-5-6-7-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyDOUHHEDSMRMURJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.85
Rot. Bonds7

About N-(2-amino-4,6-difluorophenyl)octanamide

N-(2-amino-4,6-difluorophenyl)octanamide (PubChem CID 81314143) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-(2-amino-4,6-difluorophenyl)octanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-difluorophenyl)octanamide
PubChem CID81314143
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-(2-amino-4,6-difluorophenyl)octanamide
SMILESCCCCCCCC(=O)Nc1c(N)cc(F)cc1F
InChIInChI=1S/C14H20F2N2O/c1-2-3-4-5-6-7-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyDOUHHEDSMRMURJ-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.85
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

N-(2-amino-4,6-difluorophenyl)heptanamide
CID 114752030
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(2-amino-4,6-difluorophenyl)-3-cyclopentylpropanamide
CID 81314780
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2-amino-4,6-difluorophenyl)-2-propan-2-yloxyacetamide
CID 112601922
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
3-(2-amino-4,6-difluorophenyl)-1-ethyl-1-methylurea
CID 81310656
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(4-amino-2,6-dibromophenyl)hexanamide
CID 43549305
N-(2-amino-4,6-difluorophenyl)-2-(2-fluorophenyl)acetamide
CID 81313560
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-difluorophenyl)octanamide?
The IUPAC name of N-(2-amino-4,6-difluorophenyl)octanamide (CID 81314143) is N-(2-amino-4,6-difluorophenyl)octanamide.
What is the SMILES notation for N-(2-amino-4,6-difluorophenyl)octanamide?
The canonical SMILES for N-(2-amino-4,6-difluorophenyl)octanamide is CCCCCCCC(=O)Nc1c(N)cc(F)cc1F.
What is the InChIKey of N-(2-amino-4,6-difluorophenyl)octanamide?
The InChIKey is DOUHHEDSMRMURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-3-4-5-6-7-13(19)18-14-11(16)8-10(15)9-12(14)17/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-difluorophenyl)octanamide?
N-(2-amino-4,6-difluorophenyl)octanamide has a molecular weight of 270.32 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-difluorophenyl)octanamide is sourced from PubChem (CID 81314143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).