N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide

C16H14ClN3O4 — CID 9367033

IUPACN'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H14ClN3O4/c17-11-6-5-10(9-12(11)20-7-1-4-14(20)21)15(22)18-19-16(23)13-3-2-8-24-13/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,23)
InChIKeyRZEILSMYFFUBIT-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.13
Rot. Bonds3

About N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide

N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide (PubChem CID 9367033) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
PubChem CID9367033
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(Cl)c(N2CCCC2=O)c1
InChIInChI=1S/C16H14ClN3O4/c17-11-6-5-10(9-12(11)20-7-1-4-14(20)21)15(22)18-19-16(23)13-3-2-8-24-13/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,23)
InChIKeyRZEILSMYFFUBIT-UHFFFAOYSA-N
XLogP2.13
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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]furan-2-carbohydrazide
CID 9086885
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9161741
4-chloro-N'-(cyclohexanecarbonyl)-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9327303
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
1-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9317879
4-chloro-N-(4-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042083
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9157940
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686997
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide (CID 9367033) is N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1ccc(Cl)c(N2CCCC2=O)c1.
What is the InChIKey of N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide?
The InChIKey is RZEILSMYFFUBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c17-11-6-5-10(9-12(11)20-7-1-4-14(20)21)15(22)18-19-16(23)13-3-2-8-24-13/h2-3,5-6,8-9H,1,4,7H2,(H,18,22)(H,19,23).
What are the key properties of N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide?
N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide has a molecular weight of 347.76 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 9367033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).