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

C25H26ClN3O5 — CID 1408002

IUPAC3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)c(OC)c1
InChIInChI=1S/C25H26ClN3O5/c1-14-8-9-15(23(30)27-16-6-4-5-7-16)12-18(14)28-22-21(26)24(31)29(25(22)32)19-11-10-17(33-2)13-20(19)34-3/h8-13,16,28H,4-7H2,1-3H3,(H,27,30)
InChIKeyCMIANAVAXNMEDI-UHFFFAOYSA-N
MW483.95 g/mol
LogP4.12
Rot. Bonds7

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

3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide (PubChem CID 1408002) has the molecular formula C25H26ClN3O5 and a molecular weight of 483.95 g/mol. Its IUPAC name is 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
PubChem CID1408002
Molecular FormulaC25H26ClN3O5
Molecular Weight483.95 g/mol
Exact Mass483.16
IUPAC Name3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
SMILESCOc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)c(OC)c1
InChIInChI=1S/C25H26ClN3O5/c1-14-8-9-15(23(30)27-16-6-4-5-7-16)12-18(14)28-22-21(26)24(31)29(25(22)32)19-11-10-17(33-2)13-20(19)34-3/h8-13,16,28H,4-7H2,1-3H3,(H,27,30)
InChIKeyCMIANAVAXNMEDI-UHFFFAOYSA-N
XLogP4.12
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1407566
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
CID 1407652
methyl 4-[[3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzoyl]amino]benzoate
CID 1407911
3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(4-ethoxyphenyl)-4-methylbenzamide
CID 1407894
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
N-benzyl-3-[[4-chloro-1-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407921
N-(5-chloro-2-methoxyphenyl)-3-[[4-chloro-1-(4-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylbenzamide
CID 1407525
3-chloro-4-(2,4-dimethoxyanilino)-1-(4-methylphenyl)pyrrole-2,5-dione
CID 1033956
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The IUPAC name of 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide (CID 1408002) is 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide.
What is the SMILES notation for 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The canonical SMILES for 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide is COc1ccc(N2C(=O)C(Cl)=C(Nc3cc(C(=O)NC4CCCC4)ccc3C)C2=O)c(OC)c1.
What is the InChIKey of 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
The InChIKey is CMIANAVAXNMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O5/c1-14-8-9-15(23(30)27-16-6-4-5-7-16)12-18(14)28-22-21(26)24(31)29(25(22)32)19-11-10-17(33-2)13-20(19)34-3/h8-13,16,28H,4-7H2,1-3H3,(H,27,30).
What are the key properties of 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide?
3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide has a molecular weight of 483.95 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide is sourced from PubChem (CID 1408002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).