N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide

C13H10FN3O3 — CID 162428394

IUPACN-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H10FN3O3/c1-9(18)16(11-4-2-10(14)3-5-11)13-8-12(17(19)20)6-7-15-13/h2-8H,1H3
InChIKeyKWOQXJQQJCXGSM-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.81
Rot. Bonds3

About N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide

N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide (PubChem CID 162428394) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
PubChem CID162428394
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC NameN-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)c1cc([N+](=O)[O-])ccn1
InChIInChI=1S/C13H10FN3O3/c1-9(18)16(11-4-2-10(14)3-5-11)13-8-12(17(19)20)6-7-15-13/h2-8H,1H3
InChIKeyKWOQXJQQJCXGSM-UHFFFAOYSA-N
XLogP2.81
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428424
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
CID 162428198
N-(4-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 162428379
N-(3-fluorophenyl)-N-(4-nitroso-2-pyridinyl)acetamide
CID 169022978
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
N-(4-amino-2-pyridinyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 162428454
N-benzyl-N-methyl-4-nitropyridin-2-amine
CID 82117853
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430
N-(4-nitrophenyl)-N-trimethylsilylacetamide
CID 172736262

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide (CID 162428394) is N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide is CC(=O)N(c1ccc(F)cc1)c1cc([N+](=O)[O-])ccn1.
What is the InChIKey of N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide?
The InChIKey is KWOQXJQQJCXGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c1-9(18)16(11-4-2-10(14)3-5-11)13-8-12(17(19)20)6-7-15-13/h2-8H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide?
N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide has a molecular weight of 275.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 162428394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).