N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide

C28H41BrN2O — CID 5181693

IUPACN-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide
SMILESCCCCCCCCCC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C28H41BrN2O/c1-2-3-4-5-6-7-11-16-28(32)31(26-13-9-8-10-14-26)23-27-15-12-21-30(27)22-24-17-19-25(29)20-18-24/h12,15,17-21,26H,2-11,13-14,16,22-23H2,1H3
InChIKeyOYSNNPLNDZSOMF-UHFFFAOYSA-N
MW501.55 g/mol
LogP8.10
Rot. Bonds13

About N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide

N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide (PubChem CID 5181693) has the molecular formula C28H41BrN2O and a molecular weight of 501.55 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide
PubChem CID5181693
Molecular FormulaC28H41BrN2O
Molecular Weight501.55 g/mol
Exact Mass500.24
IUPAC NameN-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide
SMILESCCCCCCCCCC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1
InChIInChI=1S/C28H41BrN2O/c1-2-3-4-5-6-7-11-16-28(32)31(26-13-9-8-10-14-26)23-27-15-12-21-30(27)22-24-17-19-25(29)20-18-24/h12,15,17-21,26H,2-11,13-14,16,22-23H2,1H3
InChIKeyOYSNNPLNDZSOMF-UHFFFAOYSA-N
XLogP8.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyloctanamide
CID 42763553
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 42763555
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-propylpentanamide
CID 4267643
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylhexanamide
CID 5176645
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-butan-2-ylbutanamide
CID 3981232
N-[2-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl-cyclohexylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanamide
CID 4673960
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylcyclopropanecarboxamide
CID 3665186
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexylcyclopentanecarboxamide
CID 3954494
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-(3-methoxypropyl)heptanamide
CID 3979769
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 4212169
2-[acetyl(pentyl)amino]-N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 5001570
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyl-2-(2-methoxyethylamino)acetamide
CID 42768575

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide?
The IUPAC name of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide (CID 5181693) is N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide?
The canonical SMILES for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide is CCCCCCCCCC(=O)N(Cc1cccn1Cc1ccc(Br)cc1)C1CCCCC1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide?
The InChIKey is OYSNNPLNDZSOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41BrN2O/c1-2-3-4-5-6-7-11-16-28(32)31(26-13-9-8-10-14-26)23-27-15-12-21-30(27)22-24-17-19-25(29)20-18-24/h12,15,17-21,26H,2-11,13-14,16,22-23H2,1H3.
What are the key properties of N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide?
N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide has a molecular weight of 501.55 g/mol, XLogP of 8.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-N-cyclohexyldecanamide is sourced from PubChem (CID 5181693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).