N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide

C19H15FN4O4 — CID 174608628

IUPACN-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(-c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ncn2)ccc1F
InChIInChI=1S/C19H15FN4O4/c1-28-17-8-12(6-7-14(17)20)15-10-18(22-11-21-15)23-19(25)9-13-4-2-3-5-16(13)24(26)27/h2-8,10-11H,9H2,1H3,(H,21,22,23,25)
InChIKeyMIJJYGAYIPSJPW-UHFFFAOYSA-N
MW382.35 g/mol
LogP3.38
Rot. Bonds6

About N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide

N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide (PubChem CID 174608628) has the molecular formula C19H15FN4O4 and a molecular weight of 382.35 g/mol. Its IUPAC name is N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide
PubChem CID174608628
Molecular FormulaC19H15FN4O4
Molecular Weight382.35 g/mol
Exact Mass382.11
IUPAC NameN-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide
SMILESCOc1cc(-c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ncn2)ccc1F
InChIInChI=1S/C19H15FN4O4/c1-28-17-8-12(6-7-14(17)20)15-10-18(22-11-21-15)23-19(25)9-13-4-2-3-5-16(13)24(26)27/h2-8,10-11H,9H2,1H3,(H,21,22,23,25)
InChIKeyMIJJYGAYIPSJPW-UHFFFAOYSA-N
XLogP3.38
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 53.38
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-amino-N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 174608651
N-(4-fluoro-3-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3377488
2-(2-methoxyphenyl)-N-(2-nitrophenyl)acetamide
CID 3253389
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-nitrophenyl)acetamide
CID 1351291
4-fluoro-5-methoxy-2-nitro-N-[(2-nitrophenyl)methyl]aniline
CID 133374248
N-(3-bromo-4-fluorophenyl)-2-(2-nitrophenyl)acetamide
CID 115661368
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 92673619
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
CID 16879379

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide (CID 174608628) is N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide is COc1cc(-c2cc(NC(=O)Cc3ccccc3[N+](=O)[O-])ncn2)ccc1F.
What is the InChIKey of N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide?
The InChIKey is MIJJYGAYIPSJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O4/c1-28-17-8-12(6-7-14(17)20)15-10-18(22-11-21-15)23-19(25)9-13-4-2-3-5-16(13)24(26)27/h2-8,10-11H,9H2,1H3,(H,21,22,23,25).
What are the key properties of N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide?
N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide has a molecular weight of 382.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-3-methoxyphenyl)pyrimidin-4-yl]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 174608628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).