N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C15H15ClN4O5 — CID 4841595

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C15H15ClN4O5/c1-15(8-2-3-8)13(22)19(14(23)18-15)7-12(21)17-9-4-5-10(16)11(6-9)20(24)25/h4-6,8H,2-3,7H2,1H3,(H,17,21)(H,18,23)
InChIKeyRVQGOVXINIDEPZ-UHFFFAOYSA-N
MW366.76 g/mol
LogP1.91
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 4841595) has the molecular formula C15H15ClN4O5 and a molecular weight of 366.76 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID4841595
Molecular FormulaC15H15ClN4O5
Molecular Weight366.76 g/mol
Exact Mass366.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C15H15ClN4O5/c1-15(8-2-3-8)13(22)19(14(23)18-15)7-12(21)17-9-4-5-10(16)11(6-9)20(24)25/h4-6,8H,2-3,7H2,1H3,(H,17,21)(H,18,23)
InChIKeyRVQGOVXINIDEPZ-UHFFFAOYSA-N
XLogP1.91
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 4841595) is N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is RVQGOVXINIDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O5/c1-15(8-2-3-8)13(22)19(14(23)18-15)7-12(21)17-9-4-5-10(16)11(6-9)20(24)25/h4-6,8H,2-3,7H2,1H3,(H,17,21)(H,18,23).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 366.76 g/mol, XLogP of 1.91, 5 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-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4841595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).