N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide

C14H11F2N3O3 — CID 162428198

IUPACN-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cc([N+](=O)[O-])ccn1)c1ccccc1C(F)F
InChIInChI=1S/C14H11F2N3O3/c1-9(20)18(12-5-3-2-4-11(12)14(15)16)13-8-10(19(21)22)6-7-17-13/h2-8,14H,1H3
InChIKeyVJZFHZPDGOQMIQ-UHFFFAOYSA-N
MW307.26 g/mol
LogP3.61
Rot. Bonds4

About N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide

N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide (PubChem CID 162428198) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
PubChem CID162428198
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC NameN-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide
SMILESCC(=O)N(c1cc([N+](=O)[O-])ccn1)c1ccccc1C(F)F
InChIInChI=1S/C14H11F2N3O3/c1-9(20)18(12-5-3-2-4-11(12)14(15)16)13-8-10(19(21)22)6-7-17-13/h2-8,14H,1H3
InChIKeyVJZFHZPDGOQMIQ-UHFFFAOYSA-N
XLogP3.61
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 53.61
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-(4-fluorophenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428394
N-(4-nitro-2-pyridinyl)-N-oxidoacetamide
CID 45116343
N-methyl-N-(4-nitro-2-pyridinyl)acetamide
CID 166160271
N-(3-fluoro-4-methylsulfonylphenyl)-N-(4-nitro-2-pyridinyl)acetamide
CID 162428424
N-benzyl-N-methyl-4-nitropyridin-2-amine
CID 82117853
methyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62005391
ethyl 2-[ethyl-(4-nitro-2-pyridinyl)amino]acetate
CID 62006831
3,5-dinitro-N-propan-2-yl-N-pyridin-2-ylbenzamide
CID 23849426
2-(difluoromethoxy)-4-nitropyridine
CID 130836809
1-bromo-1-[3-(difluoromethyl)-2-nitrophenyl]propan-2-one
CID 134615852
5-(difluoromethyl)-7-nitroquinolin-8-ol
CID 171471368
(4-nitro-2-pyridinyl)methyl acetate
CID 14761430

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide?
The IUPAC name of N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide (CID 162428198) is N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide.
What is the SMILES notation for N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide?
The canonical SMILES for N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide is CC(=O)N(c1cc([N+](=O)[O-])ccn1)c1ccccc1C(F)F.
What is the InChIKey of N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide?
The InChIKey is VJZFHZPDGOQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c1-9(20)18(12-5-3-2-4-11(12)14(15)16)13-8-10(19(21)22)6-7-17-13/h2-8,14H,1H3.
What are the key properties of N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide?
N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide has a molecular weight of 307.26 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)phenyl]-N-(4-nitro-2-pyridinyl)acetamide is sourced from PubChem (CID 162428198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).