N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide

C15H20FNO2 — CID 176933155

IUPACN-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
SMILESCCC(=O)CCCCCc1cccc(NC=O)c1F
InChIInChI=1S/C15H20FNO2/c1-2-13(19)9-5-3-4-7-12-8-6-10-14(15(12)16)17-11-18/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyOFSNQQOKFMWOAX-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.48
Rot. Bonds9

About N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide

N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide (PubChem CID 176933155) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
PubChem CID176933155
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC NameN-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
SMILESCCC(=O)CCCCCc1cccc(NC=O)c1F
InChIInChI=1S/C15H20FNO2/c1-2-13(19)9-5-3-4-7-12-8-6-10-14(15(12)16)17-11-18/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18)
InChIKeyOFSNQQOKFMWOAX-UHFFFAOYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-hexylphenyl)formamide;2-methylpropanal;2-methylpropane
CID 170951670
N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
CID 156860469
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen
CID 166461297
8-[2-fluoro-3-(2-methylbutylamino)phenyl]-2-methyloctan-3-one
CID 170201307
N-[2-chloro-3-(4-oxohexyl)phenyl]acetamide;ethane
CID 155707646
2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101
6-(2-iodophenyl)hexan-3-one
CID 11623608
6-(3-acetamido-2-chlorophenyl)hexanethioic S-acid
CID 157048722
8-(2,6-difluoro-3-methoxyphenyl)octan-3-one
CID 157048833
6-(3-fluorophenyl)hexan-3-one
CID 64521140
methane;undecane-3,9-dione
CID 158816586

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide?
The IUPAC name of N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide (CID 176933155) is N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide.
What is the SMILES notation for N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide?
The canonical SMILES for N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide is CCC(=O)CCCCCc1cccc(NC=O)c1F.
What is the InChIKey of N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide?
The InChIKey is OFSNQQOKFMWOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-13(19)9-5-3-4-7-12-8-6-10-14(15(12)16)17-11-18/h6,8,10-11H,2-5,7,9H2,1H3,(H,17,18).
What are the key properties of N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide?
N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide has a molecular weight of 265.33 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide is sourced from PubChem (CID 176933155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).