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

C25H26ClN3O3 — CID 4110970

IUPAC4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O3/c1-16(17-8-4-2-5-9-17)27-23(30)18-12-14-19(15-13-18)28-22-21(26)24(31)29(25(22)32)20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20,28H,3,6-7,10-11H2,1H3,(H,27,30)
InChIKeyWCDPQKKOVYKKDP-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.74
Rot. Bonds6

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

4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide (PubChem CID 4110970) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
PubChem CID4110970
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O3/c1-16(17-8-4-2-5-9-17)27-23(30)18-12-14-19(15-13-18)28-22-21(26)24(31)29(25(22)32)20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20,28H,3,6-7,10-11H2,1H3,(H,27,30)
InChIKeyWCDPQKKOVYKKDP-UHFFFAOYSA-N
XLogP4.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.74
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

2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
4-[(1-benzyl-4-chloro-2,5-dioxopyrrol-3-yl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1178263
4-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-(1-phenylethyl)benzamide
CID 5071532
4-[[3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methylbenzoyl]amino]benzoic acid
CID 1407834
4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817498
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-methylphenyl)benzamide
CID 1407830
N-(4-acetamidophenyl)-4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]benzamide
CID 1408084
3-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-4-methyl-N-(2-phenylethyl)benzamide
CID 1407853
4-[[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]methyl]-N-(4-methylphenyl)benzamide
CID 1408042
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide (CID 4110970) is 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide?
The InChIKey is WCDPQKKOVYKKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-16(17-8-4-2-5-9-17)27-23(30)18-12-14-19(15-13-18)28-22-21(26)24(31)29(25(22)32)20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20,28H,3,6-7,10-11H2,1H3,(H,27,30).
What are the key properties of 4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide?
4-[(4-chloro-1-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide has a molecular weight of 451.95 g/mol, XLogP of 4.74, 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-cyclohexyl-2,5-dioxopyrrol-3-yl)amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 4110970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).