N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide

C15H12F2N2O4 — CID 9405238

IUPACN-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c16-15(17)23-13-7-3-11(4-8-13)18-14(20)9-10-1-5-12(6-2-10)19(21)22/h1-8,15H,9H2,(H,18,20)
InChIKeyHZTYVMAYVXVRCK-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.38
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 9405238) has the molecular formula C15H12F2N2O4 and a molecular weight of 322.27 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID9405238
Molecular FormulaC15H12F2N2O4
Molecular Weight322.27 g/mol
Exact Mass322.08
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F2N2O4/c16-15(17)23-13-7-3-11(4-8-13)18-14(20)9-10-1-5-12(6-2-10)19(21)22/h1-8,15H,9H2,(H,18,20)
InChIKeyHZTYVMAYVXVRCK-UHFFFAOYSA-N
XLogP3.38
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
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-acetamidophenyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 35049094
2-[4-(difluoromethoxy)phenyl]-N-(4-methylphenyl)acetamide
CID 33142215
N-(4-ethoxyphenyl)-2-(4-nitrophenyl)acetamide
CID 1377182
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936
N-[4-(hydroxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 64793021
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
3-[4-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541324
2-(4-methylsulfanylphenyl)-N-(4-nitrophenyl)acetamide
CID 18586808
(4-nitrophenyl)methyl 4-(difluoromethoxy)benzoate
CID 84602222
N-[4-(difluoromethoxy)phenyl]-2,4-dinitrobenzamide
CID 2315816
N-[4-(cyclopropylsulfamoyl)phenyl]-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34431227
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide (CID 9405238) is N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is HZTYVMAYVXVRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O4/c16-15(17)23-13-7-3-11(4-8-13)18-14(20)9-10-1-5-12(6-2-10)19(21)22/h1-8,15H,9H2,(H,18,20).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 322.27 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 9405238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).