N-(2-fluorophenyl)-2-(octylamino)acetamide

C16H25FN2O — CID 78914339

IUPACN-(2-fluorophenyl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-2-3-4-5-6-9-12-18-13-16(20)19-15-11-8-7-10-14(15)17/h7-8,10-11,18H,2-6,9,12-13H2,1H3,(H,19,20)
InChIKeyVHAVYFOZHVMMIM-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.71
Rot. Bonds10

About N-(2-fluorophenyl)-2-(octylamino)acetamide

N-(2-fluorophenyl)-2-(octylamino)acetamide (PubChem CID 78914339) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(octylamino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(octylamino)acetamide
PubChem CID78914339
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(2-fluorophenyl)-2-(octylamino)acetamide
SMILESCCCCCCCCNCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-2-3-4-5-6-9-12-18-13-16(20)19-15-11-8-7-10-14(15)17/h7-8,10-11,18H,2-6,9,12-13H2,1H3,(H,19,20)
InChIKeyVHAVYFOZHVMMIM-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.71
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

N-(2-bromophenyl)-2-(hexylamino)acetamide
CID 60648819
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-2-(4-propan-2-yloxybutylamino)acetamide
CID 106010205
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
2-(butylcarbamoylamino)-N-(2-fluorophenyl)acetamide
CID 3386370
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(octylamino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(octylamino)acetamide (CID 78914339) is N-(2-fluorophenyl)-2-(octylamino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(octylamino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(octylamino)acetamide is CCCCCCCCNCC(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(octylamino)acetamide?
The InChIKey is VHAVYFOZHVMMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-2-3-4-5-6-9-12-18-13-16(20)19-15-11-8-7-10-14(15)17/h7-8,10-11,18H,2-6,9,12-13H2,1H3,(H,19,20).
What are the key properties of N-(2-fluorophenyl)-2-(octylamino)acetamide?
N-(2-fluorophenyl)-2-(octylamino)acetamide has a molecular weight of 280.39 g/mol, XLogP of 3.71, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(octylamino)acetamide is sourced from PubChem (CID 78914339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).