N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

C17H14ClN3O3 — CID 2119938

IUPACN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1
InChIInChI=1S/C17H14ClN3O3/c18-12-7-4-8-13(9-12)21-15(22)10-14(17(21)24)19-20-16(23)11-5-2-1-3-6-11/h1-9,14,19H,10H2,(H,20,23)/t14-/m1/s1
InChIKeyWNEQGHSMPHRFFR-CQSZACIVSA-N
MW343.77 g/mol
LogP1.91
Rot. Bonds4

About N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide

N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (PubChem CID 2119938) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
PubChem CID2119938
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
SMILESO=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1
InChIInChI=1S/C17H14ClN3O3/c18-12-7-4-8-13(9-12)21-15(22)10-14(17(21)24)19-20-16(23)11-5-2-1-3-6-11/h1-9,14,19H,10H2,(H,20,23)/t14-/m1/s1
InChIKeyWNEQGHSMPHRFFR-CQSZACIVSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]benzohydrazide
CID 3780901
N'-[1-(3,5-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methylbenzohydrazide
CID 4972953
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025869
N'-[(3S)-1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 92693941
N'-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 948119
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
N'-[(3R)-1-(2-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 929792
2-[4-[[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetic acid
CID 4852443
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
N'-(1-benzyl-2,5-dioxopyrrolidin-3-yl)benzohydrazide
CID 4101151
4-[(3R)-3-[2-(4-hydroxybenzoyl)hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2447455
N'-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]pyridine-4-carbohydrazide
CID 4897530

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The IUPAC name of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide (CID 2119938) is N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide.
What is the SMILES notation for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The canonical SMILES for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is O=C(NN[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O)c1ccccc1.
What is the InChIKey of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
The InChIKey is WNEQGHSMPHRFFR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-12-7-4-8-13(9-12)21-15(22)10-14(17(21)24)19-20-16(23)11-5-2-1-3-6-11/h1-9,14,19H,10H2,(H,20,23)/t14-/m1/s1.
What are the key properties of N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide?
N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide has a molecular weight of 343.77 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide is sourced from PubChem (CID 2119938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).