11-bromo-N-(2-methylphenyl)undecanamide

C18H28BrNO — CID 51058287

IUPAC11-bromo-N-(2-methylphenyl)undecanamide
SMILESCc1ccccc1NC(=O)CCCCCCCCCCBr
InChIInChI=1S/C18H28BrNO/c1-16-12-9-10-13-17(16)20-18(21)14-8-6-4-2-3-5-7-11-15-19/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21)
InChIKeyUOQBNNIZWFCDER-UHFFFAOYSA-N
MW354.33 g/mol
LogP5.84
Rot. Bonds11

About 11-bromo-N-(2-methylphenyl)undecanamide

11-bromo-N-(2-methylphenyl)undecanamide (PubChem CID 51058287) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 11-bromo-N-(2-methylphenyl)undecanamide.

Molecular Properties

Compound Name11-bromo-N-(2-methylphenyl)undecanamide
PubChem CID51058287
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name11-bromo-N-(2-methylphenyl)undecanamide
SMILESCc1ccccc1NC(=O)CCCCCCCCCCBr
InChIInChI=1S/C18H28BrNO/c1-16-12-9-10-13-17(16)20-18(21)14-8-6-4-2-3-5-7-11-15-19/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21)
InChIKeyUOQBNNIZWFCDER-UHFFFAOYSA-N
XLogP5.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.33
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
5-bromo-N-[2-(dimethylamino)phenyl]pentanamide
CID 107908909
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
5-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pentanamide
CID 114014721
methyl 4-(6-bromohexanoylamino)-3-methylbenzoate
CID 69206251
ethyl 2-(5-bromopentanoylamino)benzoate
CID 103601672
7-bromo-N-phenylheptanamide
CID 11266084
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
CID 44614049

Frequently Asked Questions

What is the IUPAC name of 11-bromo-N-(2-methylphenyl)undecanamide?
The IUPAC name of 11-bromo-N-(2-methylphenyl)undecanamide (CID 51058287) is 11-bromo-N-(2-methylphenyl)undecanamide.
What is the SMILES notation for 11-bromo-N-(2-methylphenyl)undecanamide?
The canonical SMILES for 11-bromo-N-(2-methylphenyl)undecanamide is Cc1ccccc1NC(=O)CCCCCCCCCCBr.
What is the InChIKey of 11-bromo-N-(2-methylphenyl)undecanamide?
The InChIKey is UOQBNNIZWFCDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-16-12-9-10-13-17(16)20-18(21)14-8-6-4-2-3-5-7-11-15-19/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,20,21).
What are the key properties of 11-bromo-N-(2-methylphenyl)undecanamide?
11-bromo-N-(2-methylphenyl)undecanamide has a molecular weight of 354.33 g/mol, XLogP of 5.84, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-N-(2-methylphenyl)undecanamide is sourced from PubChem (CID 51058287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).