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

C26H27ClN4O4 — CID 1408084

IUPACN-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CNC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)cc1
InChIInChI=1S/C26H27ClN4O4/c1-16(32)29-19-11-13-20(14-12-19)30-24(33)18-9-7-17(8-10-18)15-28-23-22(27)25(34)31(26(23)35)21-5-3-2-4-6-21/h7-14,21,28H,2-6,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyAYXQFELHHSFXAF-UHFFFAOYSA-N
MW494.98 g/mol
LogP4.14
Rot. Bonds7

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

N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide (PubChem CID 1408084) has the molecular formula C26H27ClN4O4 and a molecular weight of 494.98 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide
PubChem CID1408084
Molecular FormulaC26H27ClN4O4
Molecular Weight494.98 g/mol
Exact Mass494.17
IUPAC NameN-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(CNC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)cc1
InChIInChI=1S/C26H27ClN4O4/c1-16(32)29-19-11-13-20(14-12-19)30-24(33)18-9-7-17(8-10-18)15-28-23-22(27)25(34)31(26(23)35)21-5-3-2-4-6-21/h7-14,21,28H,2-6,15H2,1H3,(H,29,32)(H,30,33)
InChIKeyAYXQFELHHSFXAF-UHFFFAOYSA-N
XLogP4.14
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.98
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 1408042
ethyl 4-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoate
CID 1408062
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(3-chlorophenyl)benzamide
CID 1408064
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1408081
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-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
4-[[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]methyl]-N-phenylbenzamide
CID 1408099
methyl 4-[[4-[[[4-chloro-1-[(4-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzoyl]amino]benzoate
CID 1408267
N-(4-acetylphenyl)-4-[[[4-chloro-1-[(2-chlorophenyl)methyl]-2,5-dioxopyrrol-3-yl]amino]methyl]benzamide
CID 1408310
3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
CID 2791451
4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
CID 4110970

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide (CID 1408084) is N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(CNC3=C(Cl)C(=O)N(C4CCCCC4)C3=O)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide?
The InChIKey is AYXQFELHHSFXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O4/c1-16(32)29-19-11-13-20(14-12-19)30-24(33)18-9-7-17(8-10-18)15-28-23-22(27)25(34)31(26(23)35)21-5-3-2-4-6-21/h7-14,21,28H,2-6,15H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide?
N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide has a molecular weight of 494.98 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 1408084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).