3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide

C24H24ClN3O3 — CID 1407566

IUPAC3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)cc1
InChIInChI=1S/C24H24ClN3O3/c1-14-7-11-18(12-8-14)28-23(30)20(25)21(24(28)31)27-19-13-16(10-9-15(19)2)22(29)26-17-5-3-4-6-17/h7-13,17,27H,3-6H2,1-2H3,(H,26,29)
InChIKeyAJDIZUHZCYSFMR-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.41
Rot. Bonds5

About 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide

3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide (PubChem CID 1407566) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
PubChem CID1407566
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
SMILESCc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)cc1
InChIInChI=1S/C24H24ClN3O3/c1-14-7-11-18(12-8-14)28-23(30)20(25)21(24(28)31)27-19-13-16(10-9-15(19)2)22(29)26-17-5-3-4-6-17/h7-13,17,27H,3-6H2,1-2H3,(H,26,29)
InChIKeyAJDIZUHZCYSFMR-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.41
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

3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1408002
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
CID 1407652
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407830
3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407894
4-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
N-benzyl-3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407921
3-[[4-chloro-1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-fluorophenyl)-4-methylbenzamide
CID 1407792
N-cyclopentyl-2-(4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9213923
N-cyclooctyl-4-methylbenzamide
CID 3995245
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
CID 1407853
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The IUPAC name of 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide (CID 1407566) is 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide.
What is the SMILES notation for 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The canonical SMILES for 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide is Cc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)cc1.
What is the InChIKey of 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The InChIKey is AJDIZUHZCYSFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-14-7-11-18(12-8-14)28-23(30)20(25)21(24(28)31)27-19-13-16(10-9-15(19)2)22(29)26-17-5-3-4-6-17/h7-13,17,27H,3-6H2,1-2H3,(H,26,29).
What are the key properties of 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide has a molecular weight of 437.93 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide is sourced from PubChem (CID 1407566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).