2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide

C30H36Br2N4O2 — CID 135023350

IUPAC2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)/C(=N\CC/N=C(\C(=O)NC1CCCCC1)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C30H36Br2N4O2/c31-23-15-11-21(12-16-23)27(29(37)35-25-7-3-1-4-8-25)33-19-20-34-28(22-13-17-24(32)18-14-22)30(38)36-26-9-5-2-6-10-26/h11-18,25-26H,1-10,19-20H2,(H,35,37)(H,36,38)/b33-27-,34-28-
InChIKeyMXSWCLGLXIYZIR-YSBSNMNTSA-N
MW644.45 g/mol
LogP6.39
Rot. Bonds9

About 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide

2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide (PubChem CID 135023350) has the molecular formula C30H36Br2N4O2 and a molecular weight of 644.45 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide
PubChem CID135023350
Molecular FormulaC30H36Br2N4O2
Molecular Weight644.45 g/mol
Exact Mass642.12
IUPAC Name2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide
SMILESO=C(NC1CCCCC1)/C(=N\CC/N=C(\C(=O)NC1CCCCC1)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C30H36Br2N4O2/c31-23-15-11-21(12-16-23)27(29(37)35-25-7-3-1-4-8-25)33-19-20-34-28(22-13-17-24(32)18-14-22)30(38)36-26-9-5-2-6-10-26/h11-18,25-26H,1-10,19-20H2,(H,35,37)(H,36,38)/b33-27-,34-28-
InChIKeyMXSWCLGLXIYZIR-YSBSNMNTSA-N
XLogP6.39
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.45
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide?
The IUPAC name of 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide (CID 135023350) is 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide is O=C(NC1CCCCC1)/C(=N\CC/N=C(\C(=O)NC1CCCCC1)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide?
The InChIKey is MXSWCLGLXIYZIR-YSBSNMNTSA-N. The full InChI is InChI=1S/C30H36Br2N4O2/c31-23-15-11-21(12-16-23)27(29(37)35-25-7-3-1-4-8-25)33-19-20-34-28(22-13-17-24(32)18-14-22)30(38)36-26-9-5-2-6-10-26/h11-18,25-26H,1-10,19-20H2,(H,35,37)(H,36,38)/b33-27-,34-28-.
What are the key properties of 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide?
2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide has a molecular weight of 644.45 g/mol, XLogP of 6.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[2-[[1-(4-bromophenyl)-2-(cyclohexylamino)-2-oxoethylidene]amino]ethylimino]-N-cyclohexylacetamide is sourced from PubChem (CID 135023350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).