4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide

C18H21ClN4O4 — CID 46523058

IUPAC4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C18H21ClN4O4/c1-11-6-8-18(9-7-11)16(26)23(17(27)20-18)10-14(24)21-22-15(25)12-2-4-13(19)5-3-12/h2-5,11H,6-10H2,1H3,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIOBILNQLILQELP-UHFFFAOYSA-N
MW392.84 g/mol
LogP1.60
Rot. Bonds3

About 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide

4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide (PubChem CID 46523058) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
PubChem CID46523058
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C18H21ClN4O4/c1-11-6-8-18(9-7-11)16(26)23(17(27)20-18)10-14(24)21-22-15(25)12-2-4-13(19)5-3-12/h2-5,11H,6-10H2,1H3,(H,20,27)(H,21,24)(H,22,25)
InChIKeyIOBILNQLILQELP-UHFFFAOYSA-N
XLogP1.60
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578366
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
N-[1-(3-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823434
N-[4-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]phenyl]benzamide
CID 7630356
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
4-bromo-N'-[2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]benzohydrazide
CID 2538583
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
8-tert-butyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46555321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide (CID 46523058) is 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide is CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(Cl)cc1)C2=O.
What is the InChIKey of 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide?
The InChIKey is IOBILNQLILQELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c1-11-6-8-18(9-7-11)16(26)23(17(27)20-18)10-14(24)21-22-15(25)12-2-4-13(19)5-3-12/h2-5,11H,6-10H2,1H3,(H,20,27)(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide?
4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide has a molecular weight of 392.84 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 46523058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).