N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

C20H20BrN3O4 — CID 46656819

IUPACN'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20BrN3O4/c1-13(28-17-8-3-6-15(21)12-17)19(26)22-23-20(27)14-5-2-7-16(11-14)24-10-4-9-18(24)25/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,22,26)(H,23,27)
InChIKeyTZIMVZLADMZMGA-UHFFFAOYSA-N
MW446.30 g/mol
LogP2.80
Rot. Bonds5

About N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 46656819) has the molecular formula C20H20BrN3O4 and a molecular weight of 446.30 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID46656819
Molecular FormulaC20H20BrN3O4
Molecular Weight446.30 g/mol
Exact Mass445.06
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESCC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20BrN3O4/c1-13(28-17-8-3-6-15(21)12-17)19(26)22-23-20(27)14-5-2-7-16(11-14)24-10-4-9-18(24)25/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,22,26)(H,23,27)
InChIKeyTZIMVZLADMZMGA-UHFFFAOYSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.30
LogP ≤ 52.80
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

N'-[(2R)-2-(2,3-dimethylphenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9425412
N'-[(2S)-2-(3-bromophenoxy)propanoyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9154806
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
N'-[2-(4-fluorophenoxy)propanoyl]-3-(2-oxoimidazolidin-1-yl)benzohydrazide
CID 55702645
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
1-[3-(3-oxopentan-2-yloxy)phenyl]pyrrolidin-2-one
CID 64865890
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
(2R)-N-(4-morpholin-4-ylphenyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanamide
CID 25408427

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 46656819) is N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is TZIMVZLADMZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O4/c1-13(28-17-8-3-6-15(21)12-17)19(26)22-23-20(27)14-5-2-7-16(11-14)24-10-4-9-18(24)25/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 446.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 46656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).