N-(4-bromophenyl)-N-methyl-2-oxononanediamide

C16H21BrN2O3 — CID 70068849

IUPACN-(4-bromophenyl)-N-methyl-2-oxononanediamide
SMILESCN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3/c1-19(13-10-8-12(17)9-11-13)16(22)14(20)6-4-2-3-5-7-15(18)21/h8-11H,2-7H2,1H3,(H2,18,21)
InChIKeyQBLAUTGLQLVFIZ-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.81
Rot. Bonds9

About N-(4-bromophenyl)-N-methyl-2-oxononanediamide

N-(4-bromophenyl)-N-methyl-2-oxononanediamide (PubChem CID 70068849) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-methyl-2-oxononanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-methyl-2-oxononanediamide
PubChem CID70068849
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC NameN-(4-bromophenyl)-N-methyl-2-oxononanediamide
SMILESCN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Br)cc1
InChIInChI=1S/C16H21BrN2O3/c1-19(13-10-8-12(17)9-11-13)16(22)14(20)6-4-2-3-5-7-15(18)21/h8-11H,2-7H2,1H3,(H2,18,21)
InChIKeyQBLAUTGLQLVFIZ-UHFFFAOYSA-N
XLogP2.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-(4-phenoxyphenyl)nonanediamide
CID 70145141
2-bromo-N-(4-bromophenyl)-N-methylacetamide
CID 174990155
ethyl N-(4-bromophenyl)-N-methylcarbamate
CID 131862849
(Z)-N-(4-bromophenyl)-N,2,3-trimethyl-4-oxobut-2-enamide
CID 153372261
4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
1-(4-bromophenyl)-3-methoxy-1-methylurea
CID 142707557
N',N'-bis(4-bromophenyl)oxamide
CID 154267801
N-[(4-bromo-N-methylanilino)methyl]octadecanamide
CID 102589479
dodecanediamide;nonanediamide
CID 175017820
docosanediamide;hexacosanediamide
CID 129179979
nonatetracontanediamide
CID 162734608
pentadecanediamide
CID 87429217

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-methyl-2-oxononanediamide?
The IUPAC name of N-(4-bromophenyl)-N-methyl-2-oxononanediamide (CID 70068849) is N-(4-bromophenyl)-N-methyl-2-oxononanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N-methyl-2-oxononanediamide?
The canonical SMILES for N-(4-bromophenyl)-N-methyl-2-oxononanediamide is CN(C(=O)C(=O)CCCCCCC(N)=O)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-methyl-2-oxononanediamide?
The InChIKey is QBLAUTGLQLVFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-19(13-10-8-12(17)9-11-13)16(22)14(20)6-4-2-3-5-7-15(18)21/h8-11H,2-7H2,1H3,(H2,18,21).
What are the key properties of N-(4-bromophenyl)-N-methyl-2-oxononanediamide?
N-(4-bromophenyl)-N-methyl-2-oxononanediamide has a molecular weight of 369.26 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-methyl-2-oxononanediamide is sourced from PubChem (CID 70068849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).