1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

C20H21BrN2O2 — CID 55833403

IUPAC1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C20H21BrN2O2/c21-16-9-4-10-17(14-16)23-13-11-18(20(23)25)19(24)22-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18H,5,8,11-13H2,(H,22,24)
InChIKeyRUPBMWDQELTRCY-UHFFFAOYSA-N
MW401.30 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide

1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (PubChem CID 55833403) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
PubChem CID55833403
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2cccc(Br)c2)C1=O
InChIInChI=1S/C20H21BrN2O2/c21-16-9-4-10-17(14-16)23-13-11-18(20(23)25)19(24)22-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18H,5,8,11-13H2,(H,22,24)
InChIKeyRUPBMWDQELTRCY-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108
(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 25288656
(3S)-1-(4-ethylphenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 94079884
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 55883884
(3S)-1-(3-bromophenyl)-2-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 97082940
N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119640980
1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 55834549
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
(3R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94079978

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide (CID 55833403) is 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is O=C(NCCCc1ccccc1)C1CCN(c2cccc(Br)c2)C1=O.
What is the InChIKey of 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is RUPBMWDQELTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c21-16-9-4-10-17(14-16)23-13-11-18(20(23)25)19(24)22-12-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-10,14,18H,5,8,11-13H2,(H,22,24).
What are the key properties of 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide?
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55833403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).