N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C13H11ClN4O4 — CID 121064065

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H11ClN4O4/c1-8-4-13(20)17(7-15-8)6-12(19)16-9-2-3-10(14)11(5-9)18(21)22/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyIAOVCZNNLXVMIK-UHFFFAOYSA-N
MW322.71 g/mol
LogP1.75
Rot. Bonds4

About N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064065) has the molecular formula C13H11ClN4O4 and a molecular weight of 322.71 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID121064065
Molecular FormulaC13H11ClN4O4
Molecular Weight322.71 g/mol
Exact Mass322.05
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C13H11ClN4O4/c1-8-4-13(20)17(7-15-8)6-12(19)16-9-2-3-10(14)11(5-9)18(21)22/h2-5,7H,6H2,1H3,(H,16,19)
InChIKeyIAOVCZNNLXVMIK-UHFFFAOYSA-N
XLogP1.75
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265865
N-(4-chloro-3-nitrophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517401
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 30759718
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 121063585
N-(4-amino-2-chlorophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224163
N-(4-chloro-3-nitrophenyl)-2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)acetamide
CID 18097275
N-(3-cyanophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 61224567
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
N-(4-chloro-3-nitrophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 7916485
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 121064065) is N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is IAOVCZNNLXVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O4/c1-8-4-13(20)17(7-15-8)6-12(19)16-9-2-3-10(14)11(5-9)18(21)22/h2-5,7H,6H2,1H3,(H,16,19).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 322.71 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).