3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione

C17H18Cl2N2O2 — CID 2791451

IUPAC3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccccc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-9-5-4-6-11(13)10-20-15-14(19)16(22)21(17(15)23)12-7-2-1-3-8-12/h4-6,9,12,20H,1-3,7-8,10H2
InChIKeySTYDKBSLDFNOJG-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.58
Rot. Bonds4

About 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione

3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione (PubChem CID 2791451) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
PubChem CID2791451
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione
SMILESO=C1C(Cl)=C(NCc2ccccc2Cl)C(=O)N1C1CCCCC1
InChIInChI=1S/C17H18Cl2N2O2/c18-13-9-5-4-6-11(13)10-20-15-14(19)16(22)21(17(15)23)12-7-2-1-3-8-12/h4-6,9,12,20H,1-3,7-8,10H2
InChIKeySTYDKBSLDFNOJG-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoic acid
CID 1408080
3,4-dichloro-1-cyclohexylpyrrole-2,5-dione
CID 729254
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
ethyl 4-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoate
CID 1408062
2-cyclodecylisoindole-1,3-dione
CID 123786237
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 1408081
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]cyclohexanamine
CID 42761712
4,7-dichloro-2-cyclopentylisoindole-1,3-dione
CID 25144342
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
2-N-[(2-chlorophenyl)methyl]-4-N-cyclohexylpyrimidine-2,4-diamine
CID 112884764
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 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione?
The IUPAC name of 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione (CID 2791451) is 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione.
What is the SMILES notation for 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione?
The canonical SMILES for 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione is O=C1C(Cl)=C(NCc2ccccc2Cl)C(=O)N1C1CCCCC1.
What is the InChIKey of 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione?
The InChIKey is STYDKBSLDFNOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c18-13-9-5-4-6-11(13)10-20-15-14(19)16(22)21(17(15)23)12-7-2-1-3-8-12/h4-6,9,12,20H,1-3,7-8,10H2.
What are the key properties of 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione?
3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione has a molecular weight of 353.25 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chlorophenyl)methylamino]-1-cyclohexylpyrrole-2,5-dione is sourced from PubChem (CID 2791451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).