1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide

C23H23BrN2O3 — CID 46568564

IUPAC1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
SMILESO=C1CCC(=O)N1Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1
InChIInChI=1S/C23H23BrN2O3/c24-18-7-5-17(6-8-18)23(13-1-2-14-23)22(29)25-19-9-3-16(4-10-19)15-26-20(27)11-12-21(26)28/h3-10H,1-2,11-15H2,(H,25,29)
InChIKeyNULHSJDDQKXBAN-UHFFFAOYSA-N
MW455.35 g/mol
LogP4.55
Rot. Bonds5

About 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide (PubChem CID 46568564) has the molecular formula C23H23BrN2O3 and a molecular weight of 455.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
PubChem CID46568564
Molecular FormulaC23H23BrN2O3
Molecular Weight455.35 g/mol
Exact Mass454.09
IUPAC Name1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide
SMILESO=C1CCC(=O)N1Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1
InChIInChI=1S/C23H23BrN2O3/c24-18-7-5-17(6-8-18)23(13-1-2-14-23)22(29)25-19-9-3-16(4-10-19)15-26-20(27)11-12-21(26)28/h3-10H,1-2,11-15H2,(H,25,29)
InChIKeyNULHSJDDQKXBAN-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]cyclobutane-1-carboxamide
CID 55963786
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
methyl 4-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]benzoate
CID 18277869
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-[4-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 18291480
N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621372
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621371
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
1-(4-bromophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclopropane-1-carboxamide
CID 115362333

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide (CID 46568564) is 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide is O=C1CCC(=O)N1Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is NULHSJDDQKXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O3/c24-18-7-5-17(6-8-18)23(13-1-2-14-23)22(29)25-19-9-3-16(4-10-19)15-26-20(27)11-12-21(26)28/h3-10H,1-2,11-15H2,(H,25,29).
What are the key properties of 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 455.35 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 46568564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).