N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C15H14FN3O4 — CID 30238544

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1F
InChIInChI=1S/C15H14FN3O4/c1-10-6-11(2-4-13(10)16)7-17-14(20)9-18-8-12(19(22)23)3-5-15(18)21/h2-6,8H,7,9H2,1H3,(H,17,20)
InChIKeyAMPZEFBEGVMUQQ-UHFFFAOYSA-N
MW319.29 g/mol
LogP1.52
Rot. Bonds5

About N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 30238544) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID30238544
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1F
InChIInChI=1S/C15H14FN3O4/c1-10-6-11(2-4-13(10)16)7-17-14(20)9-18-8-12(19(22)23)3-5-15(18)21/h2-6,8H,7,9H2,1H3,(H,17,20)
InChIKeyAMPZEFBEGVMUQQ-UHFFFAOYSA-N
XLogP1.52
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-2-fluorophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890392
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60704987
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111853517
N-(2-amino-2-ethylbutyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide;hydrochloride
CID 119643273
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890090
N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
CID 35413572
N-[(2R)-butan-2-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467794
N-[3-(aminomethyl)pentan-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 119571533
4-methyl-2-[[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]methyl]pentanoic acid
CID 119252743
N-[(4-fluoro-3-methylphenyl)methyl]-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55132319
1-fluoro-2-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 71732228

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 30238544) is N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is Cc1cc(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is AMPZEFBEGVMUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O4/c1-10-6-11(2-4-13(10)16)7-17-14(20)9-18-8-12(19(22)23)3-5-15(18)21/h2-6,8H,7,9H2,1H3,(H,17,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 319.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 30238544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).