4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide

C24H23Cl2N3O3 — CID 1408064

IUPAC4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CNC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H23Cl2N3O3/c25-17-5-4-6-18(13-17)28-22(30)16-11-9-15(10-12-16)14-27-21-20(26)23(31)29(24(21)32)19-7-2-1-3-8-19/h4-6,9-13,19,27H,1-3,7-8,14H2,(H,28,30)
InChIKeyHPPBWFWCABSGQM-UHFFFAOYSA-N
MW472.37 g/mol
LogP4.83
Rot. Bonds6

About 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide

4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide (PubChem CID 1408064) has the molecular formula C24H23Cl2N3O3 and a molecular weight of 472.37 g/mol. Its IUPAC name is 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide
PubChem CID1408064
Molecular FormulaC24H23Cl2N3O3
Molecular Weight472.37 g/mol
Exact Mass471.11
IUPAC Name4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(CNC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H23Cl2N3O3/c25-17-5-4-6-18(13-17)28-22(30)16-11-9-15(10-12-16)14-27-21-20(26)23(31)29(24(21)32)19-7-2-1-3-8-19/h4-6,9-13,19,27H,1-3,7-8,14H2,(H,28,30)
InChIKeyHPPBWFWCABSGQM-UHFFFAOYSA-N
XLogP4.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide
CID 1408084
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 1408042
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1408081
ethyl 4-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoate
CID 1408062
2-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoic acid
CID 1408080
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1408086
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]-N-(3-methoxyphenyl)benzamide
CID 1408246
3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
CID 2791451
N-(3-chlorophenyl)-4-[(2,3-dioxo-4-phenylpiperazin-1-yl)methyl]benzamide
CID 53135565
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chlorophenyl)benzamide
CID 1194953

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide?
The IUPAC name of 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide (CID 1408064) is 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide is O=C(Nc1cccc(Cl)c1)c1ccc(CNC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide?
The InChIKey is HPPBWFWCABSGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3O3/c25-17-5-4-6-18(13-17)28-22(30)16-11-9-15(10-12-16)14-27-21-20(26)23(31)29(24(21)32)19-7-2-1-3-8-19/h4-6,9-13,19,27H,1-3,7-8,14H2,(H,28,30).
What are the key properties of 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide?
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide has a molecular weight of 472.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 1408064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).