11-bromo-N-(4-methoxyphenyl)undecanamide

C18H28BrNO2 — CID 51058288

IUPAC11-bromo-N-(4-methoxyphenyl)undecanamide
SMILESCOc1ccc(NC(=O)CCCCCCCCCCBr)cc1
InChIInChI=1S/C18H28BrNO2/c1-22-17-13-11-16(12-14-17)20-18(21)10-8-6-4-2-3-5-7-9-15-19/h11-14H,2-10,15H2,1H3,(H,20,21)
InChIKeyHHQPOVLKXWEXIV-UHFFFAOYSA-N
MW370.33 g/mol
LogP5.54
Rot. Bonds12

About 11-bromo-N-(4-methoxyphenyl)undecanamide

11-bromo-N-(4-methoxyphenyl)undecanamide (PubChem CID 51058288) has the molecular formula C18H28BrNO2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 11-bromo-N-(4-methoxyphenyl)undecanamide.

Molecular Properties

Compound Name11-bromo-N-(4-methoxyphenyl)undecanamide
PubChem CID51058288
Molecular FormulaC18H28BrNO2
Molecular Weight370.33 g/mol
Exact Mass369.13
IUPAC Name11-bromo-N-(4-methoxyphenyl)undecanamide
SMILESCOc1ccc(NC(=O)CCCCCCCCCCBr)cc1
InChIInChI=1S/C18H28BrNO2/c1-22-17-13-11-16(12-14-17)20-18(21)10-8-6-4-2-3-5-7-9-15-19/h11-14H,2-10,15H2,1H3,(H,20,21)
InChIKeyHHQPOVLKXWEXIV-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.33
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
methyl 10-[4-[(10-methoxy-10-oxodecanoyl)amino]anilino]-10-oxodecanoate
CID 3310554
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
7-bromo-N-phenylheptanamide
CID 11266084
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
5-bromo-N-(4-methylsulfanylphenyl)pentanamide
CID 107907215
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607

Frequently Asked Questions

What is the IUPAC name of 11-bromo-N-(4-methoxyphenyl)undecanamide?
The IUPAC name of 11-bromo-N-(4-methoxyphenyl)undecanamide (CID 51058288) is 11-bromo-N-(4-methoxyphenyl)undecanamide.
What is the SMILES notation for 11-bromo-N-(4-methoxyphenyl)undecanamide?
The canonical SMILES for 11-bromo-N-(4-methoxyphenyl)undecanamide is COc1ccc(NC(=O)CCCCCCCCCCBr)cc1.
What is the InChIKey of 11-bromo-N-(4-methoxyphenyl)undecanamide?
The InChIKey is HHQPOVLKXWEXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO2/c1-22-17-13-11-16(12-14-17)20-18(21)10-8-6-4-2-3-5-7-9-15-19/h11-14H,2-10,15H2,1H3,(H,20,21).
What are the key properties of 11-bromo-N-(4-methoxyphenyl)undecanamide?
11-bromo-N-(4-methoxyphenyl)undecanamide has a molecular weight of 370.33 g/mol, XLogP of 5.54, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-bromo-N-(4-methoxyphenyl)undecanamide is sourced from PubChem (CID 51058288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).