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

C26H28ClN3O3 — CID 1407853

IUPAC3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)cc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C26H28ClN3O3/c1-17-12-13-19(24(31)28-15-14-18-8-4-2-5-9-18)16-21(17)29-23-22(27)25(32)30(26(23)33)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,29H,3,6-7,10-11,14-15H2,1H3,(H,28,31)
InChIKeyMSLPGSASXWKJGX-UHFFFAOYSA-N
MW465.98 g/mol
LogP4.53
Rot. Bonds7

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

3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide (PubChem CID 1407853) has the molecular formula C26H28ClN3O3 and a molecular weight of 465.98 g/mol. Its IUPAC name is 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
PubChem CID1407853
Molecular FormulaC26H28ClN3O3
Molecular Weight465.98 g/mol
Exact Mass465.18
IUPAC Name3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)cc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C26H28ClN3O3/c1-17-12-13-19(24(31)28-15-14-18-8-4-2-5-9-18)16-21(17)29-23-22(27)25(32)30(26(23)33)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,29H,3,6-7,10-11,14-15H2,1H3,(H,28,31)
InChIKeyMSLPGSASXWKJGX-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.98
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407830
4-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
CID 1407652
N-benzyl-3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407921
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 1407772
4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
CID 4110970
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1407566
4-chloro-3-[(2-cyclopentylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 11839733
2-[[4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzoyl]amino]benzoic acid
CID 1408080
phenyl N-[2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]ethyl]carbamate
CID 108571993
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 1407640
2-cyclohexyl-1,3-dioxo-N-(2-phenoxyethyl)isoindole-5-carboxamide
CID 27758114

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide (CID 1407853) is 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide is Cc1ccc(C(=O)NCCc2ccccc2)cc1NC1=C(Cl)C(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
The InChIKey is MSLPGSASXWKJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O3/c1-17-12-13-19(24(31)28-15-14-18-8-4-2-5-9-18)16-21(17)29-23-22(27)25(32)30(26(23)33)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,16,20,29H,3,6-7,10-11,14-15H2,1H3,(H,28,31).
What are the key properties of 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide?
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide has a molecular weight of 465.98 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1407853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).