1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide

C18H17BrN2O3 — CID 42952999

IUPAC1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H17BrN2O3/c19-15-8-4-5-9-16(15)21-11-14(10-17(21)22)18(23)20-24-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyNXZSBWCXDBMWJI-UHFFFAOYSA-N
MW389.25 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide

1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide (PubChem CID 42952999) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
PubChem CID42952999
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
SMILESO=C(NOCc1ccccc1)C1CC(=O)N(c2ccccc2Br)C1
InChIInChI=1S/C18H17BrN2O3/c19-15-8-4-5-9-16(15)21-11-14(10-17(21)22)18(23)20-24-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23)
InChIKeyNXZSBWCXDBMWJI-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
5-oxo-1-(2-phenylethyl)-N-phenylmethoxypyrrolidine-3-carboxamide
CID 51151720
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 38002802
2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 119187504
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
(3S)-N-ethoxy-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30689983
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
1-(2-bromophenyl)-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46584108
methyl 2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47024004
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1-(2-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 60613303
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362047

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide (CID 42952999) is 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide is O=C(NOCc1ccccc1)C1CC(=O)N(c2ccccc2Br)C1.
What is the InChIKey of 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide?
The InChIKey is NXZSBWCXDBMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c19-15-8-4-5-9-16(15)21-11-14(10-17(21)22)18(23)20-24-12-13-6-2-1-3-7-13/h1-9,14H,10-12H2,(H,20,23).
What are the key properties of 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide?
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide has a molecular weight of 389.25 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide is sourced from PubChem (CID 42952999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).