N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

C14H15ClN4O5 — CID 18097275

IUPACN-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C14H15ClN4O5/c1-7(2)12-13(21)18(14(22)17-12)6-11(20)16-8-3-4-9(15)10(5-8)19(23)24/h3-5,7,12H,6H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyMBHSWPQHYCBHRN-UHFFFAOYSA-N
MW354.75 g/mol
LogP1.76
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 18097275) has the molecular formula C14H15ClN4O5 and a molecular weight of 354.75 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID18097275
Molecular FormulaC14H15ClN4O5
Molecular Weight354.75 g/mol
Exact Mass354.07
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCC(C)C1NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C14H15ClN4O5/c1-7(2)12-13(21)18(14(22)17-12)6-11(20)16-8-3-4-9(15)10(5-8)19(23)24/h3-5,7,12H,6H2,1-2H3,(H,16,20)(H,17,22)
InChIKeyMBHSWPQHYCBHRN-UHFFFAOYSA-N
XLogP1.76
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 51.76
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

N-(4-chloro-3-nitrophenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 51180240
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-phenylacetamide
CID 41200746
N-(4-acetylphenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097274
N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7916485
2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 41089956
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
3-[[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetyl]amino]-N-methylbenzamide
CID 24582125
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46638683

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide (CID 18097275) is N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is CC(C)C1NC(=O)N(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is MBHSWPQHYCBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O5/c1-7(2)12-13(21)18(14(22)17-12)6-11(20)16-8-3-4-9(15)10(5-8)19(23)24/h3-5,7,12H,6H2,1-2H3,(H,16,20)(H,17,22).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 354.75 g/mol, XLogP of 1.76, 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-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 18097275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).