2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide

C16H17FN4O4 — CID 121063585

IUPAC2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C16H17FN4O4/c1-2-3-4-11-8-16(23)20(10-18-11)9-15(22)19-12-5-6-13(17)14(7-12)21(24)25/h5-8,10H,2-4,9H2,1H3,(H,19,22)
InChIKeyHENACZIGGXRALE-UHFFFAOYSA-N
MW348.33 g/mol
LogP2.27
Rot. Bonds7

About 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 121063585) has the molecular formula C16H17FN4O4 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID121063585
Molecular FormulaC16H17FN4O4
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1
InChIInChI=1S/C16H17FN4O4/c1-2-3-4-11-8-16(23)20(10-18-11)9-15(22)19-12-5-6-13(17)14(7-12)21(24)25/h5-8,10H,2-4,9H2,1H3,(H,19,22)
InChIKeyHENACZIGGXRALE-UHFFFAOYSA-N
XLogP2.27
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 52.27
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

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 121063521
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
N-(4-chloro-3-nitrophenyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064065
N-(1,3-benzothiazol-2-yl)-2-(4-butyl-6-oxopyrimidin-1-yl)acetamide
CID 121063537
N-(4-fluoro-3-nitrophenyl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 2436305
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide (CID 121063585) is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide is CCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1.
What is the InChIKey of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is HENACZIGGXRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O4/c1-2-3-4-11-8-16(23)20(10-18-11)9-15(22)19-12-5-6-13(17)14(7-12)21(24)25/h5-8,10H,2-4,9H2,1H3,(H,19,22).
What are the key properties of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide?
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 348.33 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 121063585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).