N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide

C16H19ClN4O3 — CID 146044642

IUPACN-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC2(CNC(=O)N2C)C1
InChIInChI=1S/C16H19ClN4O3/c1-3-13(22)19-12-6-10(17)4-5-11(12)14(23)21-8-16(9-21)7-18-15(24)20(16)2/h4-6H,3,7-9H2,1-2H3,(H,18,24)(H,19,22)
InChIKeySZGHDJJHPGLQOC-UHFFFAOYSA-N
MW350.81 g/mol
LogP1.54
Rot. Bonds3

About N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide

N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide (PubChem CID 146044642) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
PubChem CID146044642
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC NameN-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC2(CNC(=O)N2C)C1
InChIInChI=1S/C16H19ClN4O3/c1-3-13(22)19-12-6-10(17)4-5-11(12)14(23)21-8-16(9-21)7-18-15(24)20(16)2/h4-6H,3,7-9H2,1-2H3,(H,18,24)(H,19,22)
InChIKeySZGHDJJHPGLQOC-UHFFFAOYSA-N
XLogP1.54
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide with MolForge

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Related Compounds

N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
CID 131921886
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CID 131910409
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
N-[5-chloro-2-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]phenyl]propanamide
CID 133135233
N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
CID 163315548
2-(2-ethoxypyridine-3-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 146040645
4-chloro-N-methyl-2-(propanoylamino)-N-propylbenzamide
CID 50956773
2-(4-chloroquinoline-2-carbonyl)-5-methyl-2,5,7-triazaspiro[3.4]octan-6-one
CID 155959797
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
CID 131943407
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-(2,4-dichlorophenyl)propanamide
CID 923083

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide (CID 146044642) is N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CC2(CNC(=O)N2C)C1.
What is the InChIKey of N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide?
The InChIKey is SZGHDJJHPGLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-3-13(22)19-12-6-10(17)4-5-11(12)14(23)21-8-16(9-21)7-18-15(24)20(16)2/h4-6H,3,7-9H2,1-2H3,(H,18,24)(H,19,22).
What are the key properties of N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide?
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide has a molecular weight of 350.81 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 146044642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).