N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

C20H20ClN3O3 — CID 30755522

IUPACN'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-9-5-14(6-10-17)12-18(25)22-23-20(27)16-7-3-15(4-8-16)13-24-11-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,25)(H,23,27)
InChIKeyUXGVJLIFVWMLRL-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.47
Rot. Bonds5

About N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide

N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (PubChem CID 30755522) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
PubChem CID30755522
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(CN2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-9-5-14(6-10-17)12-18(25)22-23-20(27)16-7-3-15(4-8-16)13-24-11-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,25)(H,23,27)
InChIKeyUXGVJLIFVWMLRL-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
N'-[2-(2-fluorophenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30707777
N-(2,5-dichlorophenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 28633234
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24625973
5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
CID 30756356
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N'-[2-(3-methylphenoxy)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 55377578
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(2,4,5-trichlorophenyl)benzamide
CID 94872752

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide (CID 30755522) is N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(CN2CCCC2=O)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
The InChIKey is UXGVJLIFVWMLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-17-9-5-14(6-10-17)12-18(25)22-23-20(27)16-7-3-15(4-8-16)13-24-11-1-2-19(24)26/h3-10H,1-2,11-13H2,(H,22,25)(H,23,27).
What are the key properties of N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide?
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide has a molecular weight of 385.85 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 30755522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).