N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

C23H21N3O5 — CID 9187490

IUPACN'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H21N3O5/c27-21-10-5-13-26(21)17-7-4-6-16(14-17)22(28)24-25-23(29)20-12-11-19(31-20)15-30-18-8-2-1-3-9-18/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,24,28)(H,25,29)
InChIKeyCXJCJZFCGIYJQA-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.06
Rot. Bonds6

About N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide

N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (PubChem CID 9187490) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
PubChem CID9187490
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C23H21N3O5/c27-21-10-5-13-26(21)17-7-4-6-16(14-17)22(28)24-25-23(29)20-12-11-19(31-20)15-30-18-8-2-1-3-9-18/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,24,28)(H,25,29)
InChIKeyCXJCJZFCGIYJQA-UHFFFAOYSA-N
XLogP3.06
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
N'-[3-(2-methylpropoxy)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 8623746
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[3-[2-[5-[(4-methoxyphenoxy)methyl]furan-2-carbonyl]hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 5241889
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
4-oxo-N'-[5-(phenoxymethyl)furan-2-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide
CID 22831162
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
N'-[2-(2-fluorophenyl)sulfanylacetyl]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 9157257

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide (CID 9187490) is N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
The InChIKey is CXJCJZFCGIYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-21-10-5-13-26(21)17-7-4-6-16(14-17)22(28)24-25-23(29)20-12-11-19(31-20)15-30-18-8-2-1-3-9-18/h1-4,6-9,11-12,14H,5,10,13,15H2,(H,24,28)(H,25,29).
What are the key properties of N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide?
N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide has a molecular weight of 419.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]-5-(phenoxymethyl)furan-2-carbohydrazide is sourced from PubChem (CID 9187490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).