N-[(4-cyano-2-fluorophenyl)methyl]nonanamide

C17H23FN2O — CID 63547890

IUPACN-[(4-cyano-2-fluorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(C#N)cc1F
InChIInChI=1S/C17H23FN2O/c1-2-3-4-5-6-7-8-17(21)20-13-15-10-9-14(12-19)11-16(15)18/h9-11H,2-8,13H2,1H3,(H,20,21)
InChIKeyKBPXSSZNUKBQOU-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.06
Rot. Bonds9

About N-[(4-cyano-2-fluorophenyl)methyl]nonanamide

N-[(4-cyano-2-fluorophenyl)methyl]nonanamide (PubChem CID 63547890) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-[(4-cyano-2-fluorophenyl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(4-cyano-2-fluorophenyl)methyl]nonanamide
PubChem CID63547890
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-[(4-cyano-2-fluorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1ccc(C#N)cc1F
InChIInChI=1S/C17H23FN2O/c1-2-3-4-5-6-7-8-17(21)20-13-15-10-9-14(12-19)11-16(15)18/h9-11H,2-8,13H2,1H3,(H,20,21)
InChIKeyKBPXSSZNUKBQOU-UHFFFAOYSA-N
XLogP4.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyano-2-fluorophenyl)methyl]-4-methylpentanamide
CID 55191081
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
N-[(4-cyano-2-fluorophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78944983
N-[(4-cyano-2-fluorophenyl)methyl]-2-cyclopropylacetamide
CID 55188581
2-[(4-cyano-2-fluorophenyl)methylamino]-N-ethylacetamide
CID 43567000
N-[(4-cyano-2-fluorophenyl)methyl]-3,5,5-trimethylhexanamide
CID 63359559
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-[(4-cyano-2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 63359741
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(4-cyano-2-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538113
3-fluoro-4-[(hexan-2-ylamino)methyl]benzonitrile
CID 62199121

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]nonanamide?
The IUPAC name of N-[(4-cyano-2-fluorophenyl)methyl]nonanamide (CID 63547890) is N-[(4-cyano-2-fluorophenyl)methyl]nonanamide.
What is the SMILES notation for N-[(4-cyano-2-fluorophenyl)methyl]nonanamide?
The canonical SMILES for N-[(4-cyano-2-fluorophenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1ccc(C#N)cc1F.
What is the InChIKey of N-[(4-cyano-2-fluorophenyl)methyl]nonanamide?
The InChIKey is KBPXSSZNUKBQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-3-4-5-6-7-8-17(21)20-13-15-10-9-14(12-19)11-16(15)18/h9-11H,2-8,13H2,1H3,(H,20,21).
What are the key properties of N-[(4-cyano-2-fluorophenyl)methyl]nonanamide?
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide has a molecular weight of 290.38 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyano-2-fluorophenyl)methyl]nonanamide is sourced from PubChem (CID 63547890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).