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

C25H19Cl2N3O3 — CID 5071532

IUPAC4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C25H19Cl2N3O3/c1-15(16-6-3-2-4-7-16)28-23(31)17-10-12-19(13-11-17)29-22-21(27)24(32)30(25(22)33)20-9-5-8-18(26)14-20/h2-15,29H,1H3,(H,28,31)
InChIKeyBZFHLASBIODPSA-UHFFFAOYSA-N
MW480.35 g/mol
LogP5.27
Rot. Bonds6

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

4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 5071532) has the molecular formula C25H19Cl2N3O3 and a molecular weight of 480.35 g/mol. Its IUPAC name is 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide
PubChem CID5071532
Molecular FormulaC25H19Cl2N3O3
Molecular Weight480.35 g/mol
Exact Mass479.08
IUPAC Name4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C25H19Cl2N3O3/c1-15(16-6-3-2-4-7-16)28-23(31)17-10-12-19(13-11-17)29-22-21(27)24(32)30(25(22)33)20-9-5-8-18(26)14-20/h2-15,29H,1H3,(H,28,31)
InChIKeyBZFHLASBIODPSA-UHFFFAOYSA-N
XLogP5.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.35
LogP ≤ 55.27
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

propan-2-yl 3-[3-chloro-2,5-dioxo-4-[3-(1-phenylethylcarbamoyl)anilino]pyrrol-1-yl]benzoate
CID 3385249
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1178263
4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
CID 4110970
3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]benzoic acid
CID 1185314
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
5-(4-chloroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109232823
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9164826

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide (CID 5071532) is 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is BZFHLASBIODPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O3/c1-15(16-6-3-2-4-7-16)28-23(31)17-10-12-19(13-11-17)29-22-21(27)24(32)30(25(22)33)20-9-5-8-18(26)14-20/h2-15,29H,1H3,(H,28,31).
What are the key properties of 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide?
4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 480.35 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 5071532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).