N-benzyl-4-bromooctanamide

C15H22BrNO — CID 174470522

IUPACN-benzyl-4-bromooctanamide
SMILESCCCCC(Br)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22BrNO/c1-2-3-9-14(16)10-11-15(18)17-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,17,18)
InChIKeyCOKIDEASGFXCSG-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.04
Rot. Bonds8

About N-benzyl-4-bromooctanamide

N-benzyl-4-bromooctanamide (PubChem CID 174470522) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-benzyl-4-bromooctanamide.

Molecular Properties

Compound NameN-benzyl-4-bromooctanamide
PubChem CID174470522
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-benzyl-4-bromooctanamide
SMILESCCCCC(Br)CCC(=O)NCc1ccccc1
InChIInChI=1S/C15H22BrNO/c1-2-3-9-14(16)10-11-15(18)17-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,17,18)
InChIKeyCOKIDEASGFXCSG-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-N-benzyl-9-oxooctadec-12-enamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromooctanamide?
The IUPAC name of N-benzyl-4-bromooctanamide (CID 174470522) is N-benzyl-4-bromooctanamide.
What is the SMILES notation for N-benzyl-4-bromooctanamide?
The canonical SMILES for N-benzyl-4-bromooctanamide is CCCCC(Br)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-bromooctanamide?
The InChIKey is COKIDEASGFXCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-2-3-9-14(16)10-11-15(18)17-12-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,17,18).
What are the key properties of N-benzyl-4-bromooctanamide?
N-benzyl-4-bromooctanamide has a molecular weight of 312.25 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromooctanamide is sourced from PubChem (CID 174470522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).