(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

C19H18BrN3O4 — CID 35552842

IUPAC(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1
InChIInChI=1S/C19H18BrN3O4/c1-27-14-8-6-13(7-9-14)23-11-12(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,26)/t12-/m1/s1
InChIKeyCTFAKZHYVMECEE-GFCCVEGCSA-N
MW432.27 g/mol
LogP2.27
Rot. Bonds4

About (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide

(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 35552842) has the molecular formula C19H18BrN3O4 and a molecular weight of 432.27 g/mol. Its IUPAC name is (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
PubChem CID35552842
Molecular FormulaC19H18BrN3O4
Molecular Weight432.27 g/mol
Exact Mass431.05
IUPAC Name(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
SMILESCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1
InChIInChI=1S/C19H18BrN3O4/c1-27-14-8-6-13(7-9-14)23-11-12(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,26)/t12-/m1/s1
InChIKeyCTFAKZHYVMECEE-GFCCVEGCSA-N
XLogP2.27
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(4-methoxyphenyl)-N-[2-[(2-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40822829
N'-(2-chlorobenzoyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51179819
1-(2-bromophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46583917
N'-(2-fluorobenzoyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51145340
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
N'-[2-(4-methoxyanilino)acetyl]-5-oxo-1-phenylpyrrolidine-3-carbohydrazide
CID 55629264
(3R)-N'-[2-(2-fluorophenoxy)acetyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 51933925
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3R)-N-[2-[(2-bromobenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29135405
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide (CID 35552842) is (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1.
What is the InChIKey of (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is CTFAKZHYVMECEE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18BrN3O4/c1-27-14-8-6-13(7-9-14)23-11-12(10-17(23)24)18(25)21-22-19(26)15-4-2-3-5-16(15)20/h2-9,12H,10-11H2,1H3,(H,21,25)(H,22,26)/t12-/m1/s1.
What are the key properties of (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide?
(3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 432.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(2-bromobenzoyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 35552842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).