N-[(5-bromo-2-fluorophenyl)methyl]nonanamide

C16H23BrFNO — CID 65427676

IUPACN-[(5-bromo-2-fluorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-2-3-4-5-6-7-8-16(20)19-12-13-11-14(17)9-10-15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyWBTBKHFWGFAREN-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.95
Rot. Bonds9

About N-[(5-bromo-2-fluorophenyl)methyl]nonanamide

N-[(5-bromo-2-fluorophenyl)methyl]nonanamide (PubChem CID 65427676) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]nonanamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]nonanamide
PubChem CID65427676
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]nonanamide
SMILESCCCCCCCCC(=O)NCc1cc(Br)ccc1F
InChIInChI=1S/C16H23BrFNO/c1-2-3-4-5-6-7-8-16(20)19-12-13-11-14(17)9-10-15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20)
InChIKeyWBTBKHFWGFAREN-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-4-ethoxybutanamide
CID 112728062
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
3-[4-fluoro-3-[(hexanoylamino)methyl]phenyl]prop-2-enoic acid
CID 76907547
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]hexanamide
CID 61301214
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
N-[(4-cyano-2-fluorophenyl)methyl]nonanamide
CID 63547890
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]nonanamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]nonanamide (CID 65427676) is N-[(5-bromo-2-fluorophenyl)methyl]nonanamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]nonanamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]nonanamide is CCCCCCCCC(=O)NCc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]nonanamide?
The InChIKey is WBTBKHFWGFAREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrFNO/c1-2-3-4-5-6-7-8-16(20)19-12-13-11-14(17)9-10-15(13)18/h9-11H,2-8,12H2,1H3,(H,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]nonanamide?
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide has a molecular weight of 344.27 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]nonanamide is sourced from PubChem (CID 65427676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).