N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C17H19ClN4O5 — CID 4847200

IUPACN-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19ClN4O5/c18-12-6-5-11(9-13(12)22(26)27)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25)
InChIKeyQFHNKMGYCAKJKQ-UHFFFAOYSA-N
MW394.82 g/mol
LogP2.83
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 4847200) has the molecular formula C17H19ClN4O5 and a molecular weight of 394.82 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID4847200
Molecular FormulaC17H19ClN4O5
Molecular Weight394.82 g/mol
Exact Mass394.10
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H19ClN4O5/c18-12-6-5-11(9-13(12)22(26)27)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25)
InChIKeyQFHNKMGYCAKJKQ-UHFFFAOYSA-N
XLogP2.83
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CID 2462392
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-nitrophenyl)acetamide
CID 3879029
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2078604
N-(2,4-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701845
N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4841595
2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2577317
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2577319
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2622705
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701848
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2701870

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 4847200) is N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is QFHNKMGYCAKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O5/c18-12-6-5-11(9-13(12)22(26)27)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 394.82 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 4847200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).