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

C24H24ClN3O3 — CID 1407652

IUPAC3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H24ClN3O3/c1-15-11-12-17(22(29)26-18-9-5-6-10-18)13-19(15)27-21-20(25)23(30)28(24(21)31)14-16-7-3-2-4-8-16/h2-4,7-8,11-13,18,27H,5-6,9-10,14H2,1H3,(H,26,29)
InChIKeyDXOWKMPXNADHKD-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.10
Rot. Bonds6

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

3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide (PubChem CID 1407652) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
PubChem CID1407652
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCC2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C24H24ClN3O3/c1-15-11-12-17(22(29)26-18-9-5-6-10-18)13-19(15)27-21-20(25)23(30)28(24(21)31)14-16-7-3-2-4-8-16/h2-4,7-8,11-13,18,27H,5-6,9-10,14H2,1H3,(H,26,29)
InChIKeyDXOWKMPXNADHKD-UHFFFAOYSA-N
XLogP4.10
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.10
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-(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-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 1407640
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1407639
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
CID 1407853
3-[[4-chloro-1-(2,4-dimethoxyphenyl)-2,5-dioxopyrrol-3-yl]amino]-N-cyclopentyl-4-methylbenzamide
CID 1408002
5-benzyl-N-cyclooctyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142267
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407830
1-benzyl-3-chloro-4-(2,4-dimethylanilino)pyrrole-2,5-dione
CID 720409
5-benzyl-N-cyclopropyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 5142419
4-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
4-benzyl-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4090601
1-benzyl-3-chloro-4-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 1194977

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide?
The IUPAC name of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide (CID 1407652) is 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide.
What is the SMILES notation for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide?
The canonical SMILES for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCC2)cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide?
The InChIKey is DXOWKMPXNADHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-15-11-12-17(22(29)26-18-9-5-6-10-18)13-19(15)27-21-20(25)23(30)28(24(21)31)14-16-7-3-2-4-8-16/h2-4,7-8,11-13,18,27H,5-6,9-10,14H2,1H3,(H,26,29).
What are the key properties of 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide?
3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide has a molecular weight of 437.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-cyclopentyl-4-methylbenzamide is sourced from PubChem (CID 1407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).