(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide

C16H14BrN3O3 — CID 126175921

IUPAC(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C\c1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrN3O3/c17-12-3-5-13(6-4-12)20-10-11(8-15(20)21)16(22)19-18-9-14-2-1-7-23-14/h1-7,9,11H,8,10H2,(H,19,22)/b18-9-/t11-/m1/s1
InChIKeyQOFCBGBWVNGNDB-RGVUVNHFSA-N
MW376.21 g/mol
LogP2.55
Rot. Bonds4

About (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide (PubChem CID 126175921) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
PubChem CID126175921
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(N/N=C\c1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrN3O3/c17-12-3-5-13(6-4-12)20-10-11(8-15(20)21)16(22)19-18-9-14-2-1-7-23-14/h1-7,9,11H,8,10H2,(H,19,22)/b18-9-/t11-/m1/s1
InChIKeyQOFCBGBWVNGNDB-RGVUVNHFSA-N
XLogP2.55
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-furan-2-ylmethylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 5466613
(3R)-1-(4-bromophenyl)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126273303
(3R)-1-(4-bromophenyl)-N-[(Z)-(2-chlorophenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126162846
1-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 2856268
(3S)-1-(4-bromophenyl)-N-[(Z)-(4-butoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 126164758
(3R)-1-(4-bromophenyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 39869217
1-(4-bromophenyl)-N-[2-(furan-2-carbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42943340
(3R)-N-[(Z)-benzylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5392258
(3R)-N-[(4-bromophenyl)methylideneamino]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1043471
N-[(4-methylphenyl)methylideneamino]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 555109
(3S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136794190
5-oxo-1-phenyl-N-(thiophen-2-ylmethylideneamino)pyrrolidine-3-carboxamide
CID 2883253

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide (CID 126175921) is (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide is O=C(N/N=C\c1ccco1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QOFCBGBWVNGNDB-RGVUVNHFSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c17-12-3-5-13(6-4-12)20-10-11(8-15(20)21)16(22)19-18-9-14-2-1-7-23-14/h1-7,9,11H,8,10H2,(H,19,22)/b18-9-/t11-/m1/s1.
What are the key properties of (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-bromophenyl)-N-[(Z)-furan-2-ylmethylideneamino]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 126175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).