N-[(4-bromophenyl)methyl]-N-methyloctanamide

C16H24BrNO — CID 63531159

IUPACN-[(4-bromophenyl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-8-16(19)18(2)13-14-9-11-15(17)12-10-14/h9-12H,3-8,13H2,1-2H3
InChIKeyRJMKXOXKMBTBOS-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.77
Rot. Bonds8

About N-[(4-bromophenyl)methyl]-N-methyloctanamide

N-[(4-bromophenyl)methyl]-N-methyloctanamide (PubChem CID 63531159) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyloctanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyloctanamide
PubChem CID63531159
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-3-4-5-6-7-8-16(19)18(2)13-14-9-11-15(17)12-10-14/h9-12H,3-8,13H2,1-2H3
InChIKeyRJMKXOXKMBTBOS-UHFFFAOYSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
N-benzyl-N-methylpentanamide
CID 4629611
N-[(5-bromothiophen-3-yl)methyl]-N-methylnonanamide
CID 65426149
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyloctanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyloctanamide (CID 63531159) is N-[(4-bromophenyl)methyl]-N-methyloctanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyloctanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyloctanamide is CCCCCCCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyloctanamide?
The InChIKey is RJMKXOXKMBTBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-4-5-6-7-8-16(19)18(2)13-14-9-11-15(17)12-10-14/h9-12H,3-8,13H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyloctanamide?
N-[(4-bromophenyl)methyl]-N-methyloctanamide has a molecular weight of 326.28 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyloctanamide is sourced from PubChem (CID 63531159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).