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

C18H28BrNO — CID 65428442

IUPACN-[(4-bromophenyl)methyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-9-10-18(21)20(2)15-16-11-13-17(19)14-12-16/h11-14H,3-10,15H2,1-2H3
InChIKeyMHHSZXDYFRAKFJ-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.55
Rot. Bonds10

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

N-[(4-bromophenyl)methyl]-N-methyldecanamide (PubChem CID 65428442) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyldecanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyldecanamide
PubChem CID65428442
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyldecanamide
SMILESCCCCCCCCCC(=O)N(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-9-10-18(21)20(2)15-16-11-13-17(19)14-12-16/h11-14H,3-10,15H2,1-2H3
InChIKeyMHHSZXDYFRAKFJ-UHFFFAOYSA-N
XLogP5.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.55
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-methyloctanamide
CID 63531159
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
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyldecanamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyldecanamide (CID 65428442) is N-[(4-bromophenyl)methyl]-N-methyldecanamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyldecanamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyldecanamide is CCCCCCCCCC(=O)N(C)Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyldecanamide?
The InChIKey is MHHSZXDYFRAKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-9-10-18(21)20(2)15-16-11-13-17(19)14-12-16/h11-14H,3-10,15H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyldecanamide?
N-[(4-bromophenyl)methyl]-N-methyldecanamide has a molecular weight of 354.33 g/mol, XLogP of 5.55, 10 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-methyldecanamide is sourced from PubChem (CID 65428442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).