(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

C16H17Cl2N3O3 — CID 2430041

IUPAC(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-9(13(22)19-12-5-4-10(17)8-11(12)18)21-14(23)16(20-15(21)24)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m1/s1
InChIKeyQLJTVBAZSPHLDI-SECBINFHSA-N
MW370.24 g/mol
LogP3.18
Rot. Bonds3

About (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide

(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (PubChem CID 2430041) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
PubChem CID2430041
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H17Cl2N3O3/c1-9(13(22)19-12-5-4-10(17)8-11(12)18)21-14(23)16(20-15(21)24)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m1/s1
InChIKeyQLJTVBAZSPHLDI-SECBINFHSA-N
XLogP3.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2373539
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 41144250
2-[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]phenyl]acetic acid
CID 119353211
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-fluoro-2-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 97251844
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylpropanamide
CID 112775763
3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3630449
(2R)-N-(3-acetylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)propanamide
CID 2428270
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52513400
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120881841
N-(2,4-dichlorophenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)propanamide
CID 3748550
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9329114
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoic acid
CID 51664154

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The IUPAC name of (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide (CID 2430041) is (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The canonical SMILES for (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
The InChIKey is QLJTVBAZSPHLDI-SECBINFHSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-9(13(22)19-12-5-4-10(17)8-11(12)18)21-14(23)16(20-15(21)24)6-2-3-7-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,19,22)(H,20,24)/t9-/m1/s1.
What are the key properties of (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide?
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide has a molecular weight of 370.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide is sourced from PubChem (CID 2430041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).