N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide

C20H20ClN3O3 — CID 9084885

IUPACN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-5-7-15(13(2)10-12)19(26)22-23-20(27)16-8-6-14(21)11-17(16)24-9-3-4-18(24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXVRQONSCWZAAQJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.16
Rot. Bonds3

About N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide

N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide (PubChem CID 9084885) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
PubChem CID9084885
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-5-7-15(13(2)10-12)19(26)22-23-20(27)16-8-6-14(21)11-17(16)24-9-3-4-18(24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXVRQONSCWZAAQJ-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.16
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'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9091448
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9086885
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
CID 36841106
4-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 35853287
1-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-pentylthiourea
CID 9093295
2,4-dimethyl-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylbenzohydrazide
CID 8822934
3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
CID 55677245
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 109479043
4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9291780

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The IUPAC name of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide (CID 9084885) is N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide.
What is the SMILES notation for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The canonical SMILES for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2N2CCCC2=O)c(C)c1.
What is the InChIKey of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide?
The InChIKey is XVRQONSCWZAAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-5-7-15(13(2)10-12)19(26)22-23-20(27)16-8-6-14(21)11-17(16)24-9-3-4-18(24)25/h5-8,10-11H,3-4,9H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide?
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide has a molecular weight of 385.85 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide is sourced from PubChem (CID 9084885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).