N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide

C15H12ClN3O3S — CID 3703002

IUPACN'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1
InChIInChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21)
InChIKeyUPDGVHLBKRCCFQ-UHFFFAOYSA-N
MW349.80 g/mol
LogP1.97
Rot. Bonds4

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

N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (PubChem CID 3703002) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
PubChem CID3703002
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
SMILESO=C(NNC1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1
InChIInChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21)
InChIKeyUPDGVHLBKRCCFQ-UHFFFAOYSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(2,5-dioxo-1-pyrrolidinyl)phenyl]-2-thiophenecarboxamide
CID 1136439
1-(4-Chlorophenyl)-3-[(thiophen-2-ylmethyl)amino]pyrrolidine-2,5-dione
CID 2882225
N'-[1-(3-chloro-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3898788
3-chloro-N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazino]-2-thiophenecarboxamide
CID 2810513
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 16032607
N'-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 4305257
N-[4-(3,5-dichlorophenyl)-2,5-dioxopiperazino]-2-thiophenecarboxamide
CID 2810510
5-chloro-N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 71839084
N'-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 1518334
N'-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-thiophen-2-ylacetohydrazide
CID 1518335
N'-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(thiophen-2-yl)acetohydrazide
CID 4097692
(2R)-N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 28919443

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The IUPAC name of N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide (CID 3703002) is N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is O=C(NNC1CC(=O)N(c2cccc(Cl)c2)C1=O)c1cccs1.
What is the InChIKey of N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
The InChIKey is UPDGVHLBKRCCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c16-9-3-1-4-10(7-9)19-13(20)8-11(15(19)22)17-18-14(21)12-5-2-6-23-12/h1-7,11,17H,8H2,(H,18,21).
What are the key properties of N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide?
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide has a molecular weight of 349.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide is sourced from PubChem (CID 3703002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).