N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide

C16H25FN2O — CID 60689776

IUPACN-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
SMILESCCCCCCC(C)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-6-8-13(2)18-12-16(20)19-15-10-7-9-14(17)11-15/h7,9-11,13,18H,3-6,8,12H2,1-2H3,(H,19,20)
InChIKeyAYBDVMLNYXZBCW-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.71
Rot. Bonds9

About N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide

N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide (PubChem CID 60689776) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
PubChem CID60689776
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide
SMILESCCCCCCC(C)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H25FN2O/c1-3-4-5-6-8-13(2)18-12-16(20)19-15-10-7-9-14(17)11-15/h7,9-11,13,18H,3-6,8,12H2,1-2H3,(H,19,20)
InChIKeyAYBDVMLNYXZBCW-UHFFFAOYSA-N
XLogP3.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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-(3-chlorophenyl)-2-(hexan-2-ylamino)acetamide
CID 62199666
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234
N-(3-fluorophenyl)-2-(octylamino)acetamide
CID 78914397
N-(3-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954669
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
N-(3-fluorophenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61474061
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(3-fluorophenyl)-2-(2-methylbutylamino)acetamide
CID 55108758
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide (CID 60689776) is N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide is CCCCCCC(C)NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide?
The InChIKey is AYBDVMLNYXZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-4-5-6-8-13(2)18-12-16(20)19-15-10-7-9-14(17)11-15/h7,9-11,13,18H,3-6,8,12H2,1-2H3,(H,19,20).
What are the key properties of N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide?
N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide has a molecular weight of 280.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(octan-2-ylamino)acetamide is sourced from PubChem (CID 60689776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).