4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

C19H17ClFN3O3 — CID 9161741

IUPAC4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C19H17ClFN3O3/c20-15-8-5-13(11-16(15)24-9-1-2-18(24)26)19(27)23-22-17(25)10-12-3-6-14(21)7-4-12/h3-8,11H,1-2,9-10H2,(H,22,25)(H,23,27)
InChIKeyQGZNSQXEDVZDRK-UHFFFAOYSA-N
MW389.81 g/mol
LogP2.61
Rot. Bonds4

About 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide

4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (PubChem CID 9161741) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
PubChem CID9161741
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C19H17ClFN3O3/c20-15-8-5-13(11-16(15)24-9-1-2-18(24)26)19(27)23-22-17(25)10-12-3-6-14(21)7-4-12/h3-8,11H,1-2,9-10H2,(H,22,25)(H,23,27)
InChIKeyQGZNSQXEDVZDRK-UHFFFAOYSA-N
XLogP2.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 52.61
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

1-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9317879
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
CID 9367033
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
N'-[2-(4-chlorophenyl)acetyl]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 26657735
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940
4-chloro-N-[2-oxo-2-(propylamino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9163408
4-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18143926
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
N'-[2-(4-chlorophenyl)acetyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzohydrazide
CID 30755522
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide (CID 9161741) is 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
The InChIKey is QGZNSQXEDVZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c20-15-8-5-13(11-16(15)24-9-1-2-18(24)26)19(27)23-22-17(25)10-12-3-6-14(21)7-4-12/h3-8,11H,1-2,9-10H2,(H,22,25)(H,23,27).
What are the key properties of 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide?
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide has a molecular weight of 389.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide is sourced from PubChem (CID 9161741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).