2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide

C18H21ClN4O4 — CID 18129628

IUPAC2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H21ClN4O4/c19-13-7-3-2-6-12(13)15(25)20-11-8-14(24)22-23-16(26)18(21-17(23)27)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,21,27)(H,22,24)
InChIKeyYYQUYQSNBGENNP-UHFFFAOYSA-N
MW392.84 g/mol
LogP1.75
Rot. Bonds5

About 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide (PubChem CID 18129628) has the molecular formula C18H21ClN4O4 and a molecular weight of 392.84 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide
PubChem CID18129628
Molecular FormulaC18H21ClN4O4
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC Name2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H21ClN4O4/c19-13-7-3-2-6-12(13)15(25)20-11-8-14(24)22-23-16(26)18(21-17(23)27)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,21,27)(H,22,24)
InChIKeyYYQUYQSNBGENNP-UHFFFAOYSA-N
XLogP1.75
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide (CID 18129628) is 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide?
The InChIKey is YYQUYQSNBGENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4/c19-13-7-3-2-6-12(13)15(25)20-11-8-14(24)22-23-16(26)18(21-17(23)27)9-4-1-5-10-18/h2-3,6-7H,1,4-5,8-11H2,(H,20,25)(H,21,27)(H,22,24).
What are the key properties of 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide has a molecular weight of 392.84 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18129628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).