N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

C21H25BrN2O2 — CID 2844195

IUPACN-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C21H25BrN2O2/c22-17-1-3-18(4-2-17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)
InChIKeyXVFXRRBPBDCTPH-UHFFFAOYSA-N
MW417.35 g/mol
LogP3.89
Rot. Bonds3

About N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2844195) has the molecular formula C21H25BrN2O2 and a molecular weight of 417.35 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2844195
Molecular FormulaC21H25BrN2O2
Molecular Weight417.35 g/mol
Exact Mass416.11
IUPAC NameN-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C21H25BrN2O2/c22-17-1-3-18(4-2-17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26)
InChIKeyXVFXRRBPBDCTPH-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112067
ST014790
CID 2883757
N-(3-bromophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2902416
1-(4-bromophenyl)-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 647254
1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 3116857
1-benzyl-N-(2,4-dibromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24687497
N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
CID 46902939
N-(4-bromophenyl)-2-[(3R,4R)-1,4-dibenzyl-2-oxopyrrolidin-3-yl]acetamide
CID 46902963
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2883437
N-(2-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2985043
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3941420
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide (CID 2844195) is N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)C1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XVFXRRBPBDCTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O2/c22-17-1-3-18(4-2-17)24-12-16(8-19(24)25)20(26)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-16H,5-12H2,(H,23,26).
What are the key properties of N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 417.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2844195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).