1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide

C19H25BrN2O2 — CID 71893622

IUPAC1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C19H25BrN2O2/c20-16-10-6-7-11-17(16)22-13-12-15(19(22)24)18(23)21-14-8-4-2-1-3-5-9-14/h6-7,10-11,14-15H,1-5,8-9,12-13H2,(H,21,23)
InChIKeyXUZZEOMYRDCSBU-UHFFFAOYSA-N
MW393.33 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide (PubChem CID 71893622) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
PubChem CID71893622
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCCCC1)C1CCN(c2ccccc2Br)C1=O
InChIInChI=1S/C19H25BrN2O2/c20-16-10-6-7-11-17(16)22-13-12-15(19(22)24)18(23)21-14-8-4-2-1-3-5-9-14/h6-7,10-11,14-15H,1-5,8-9,12-13H2,(H,21,23)
InChIKeyXUZZEOMYRDCSBU-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 55788463
N-[2-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119604411
(3S)-1-(2-bromophenyl)-3-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 94010469
1-(2-bromophenyl)-2-oxo-N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55790178
2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119225559
3-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177355
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 119368549
N-[1-(aminomethyl)cyclopentyl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119567791
(3S)-1-(4-chlorophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide
CID 94079940
N-[(2S)-1-aminopropan-2-yl]-1-(2-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120506040
1-(2-bromophenyl)-N-(2-hydroxy-2-phenylethyl)-2-oxopyrrolidine-3-carboxamide
CID 112834405
(2R)-2-[[1-(2-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363528

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide (CID 71893622) is 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCCCC1)C1CCN(c2ccccc2Br)C1=O.
What is the InChIKey of 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XUZZEOMYRDCSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c20-16-10-6-7-11-17(16)22-13-12-15(19(22)24)18(23)21-14-8-4-2-1-3-5-9-14/h6-7,10-11,14-15H,1-5,8-9,12-13H2,(H,21,23).
What are the key properties of 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-cyclooctyl-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71893622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).