N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen

C19H30FNO2 — CID 166461297

IUPACN-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen
SMILESCCC(=O)Nc1cccc(CCCCCC(=O)C(C)CC)c1F.[H][H]
InChIInChI=1S/C19H28FNO2.H2/c1-4-14(3)17(22)13-8-6-7-10-15-11-9-12-16(19(15)20)21-18(23)5-2;/h9,11-12,14H,4-8,10,13H2,1-3H3,(H,21,23);1H
InChIKeyWACAOUWHZLKREO-UHFFFAOYSA-N
MW323.45 g/mol
LogP5.14
Rot. Bonds10

About N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen

N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen (PubChem CID 166461297) has the molecular formula C19H30FNO2 and a molecular weight of 323.45 g/mol. Its IUPAC name is N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen
PubChem CID166461297
Molecular FormulaC19H30FNO2
Molecular Weight323.45 g/mol
Exact Mass323.23
IUPAC NameN-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen
SMILESCCC(=O)Nc1cccc(CCCCCC(=O)C(C)CC)c1F.[H][H]
InChIInChI=1S/C19H28FNO2.H2/c1-4-14(3)17(22)13-8-6-7-10-15-11-9-12-16(19(15)20)21-18(23)5-2;/h9,11-12,14H,4-8,10,13H2,1-3H3,(H,21,23);1H
InChIKeyWACAOUWHZLKREO-UHFFFAOYSA-N
XLogP5.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.45
LogP ≤ 55.14
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

8-[2-fluoro-3-(2-methylbutylamino)phenyl]-2-methyloctan-3-one
CID 170201307
N-[2-methyl-3-(6-oxooctyl)phenyl]propanamide;molecular hydrogen
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N-[2-fluoro-3-(6-oxooctyl)phenyl]formamide
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N-(3-bromo-2-fluorophenyl)propanamide
CID 167203980
methyl 6-[3-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-2-fluorophenyl]hexanoate
CID 155707388
2,19-dimethylhenicosane-3,18-dione
CID 138498522
N-(2,3-diethylphenyl)propanamide
CID 142121633
N-(2-fluoro-3-hexylphenyl)formamide;2-methylpropanal;2-methylpropane
CID 170951670
N-[2-chloro-3-(6-oxoheptyl)phenyl]-2-methylpropanamide
CID 155706938
N-[3-[(2-fluorophenyl)methylamino]-2-methylphenyl]propanamide
CID 43426599
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CID 143153627
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen?
The IUPAC name of N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen (CID 166461297) is N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen.
What is the SMILES notation for N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen?
The canonical SMILES for N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen is CCC(=O)Nc1cccc(CCCCCC(=O)C(C)CC)c1F.[H][H].
What is the InChIKey of N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen?
The InChIKey is WACAOUWHZLKREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FNO2.H2/c1-4-14(3)17(22)13-8-6-7-10-15-11-9-12-16(19(15)20)21-18(23)5-2;/h9,11-12,14H,4-8,10,13H2,1-3H3,(H,21,23);1H.
What are the key properties of N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen?
N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen has a molecular weight of 323.45 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(7-methyl-6-oxononyl)phenyl]propanamide;molecular hydrogen is sourced from PubChem (CID 166461297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).