4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide

C14H9F3N2O4 — CID 26696939

IUPAC4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H9F3N2O4/c15-11-6-3-9(7-12(11)19(21)22)18-13(20)8-1-4-10(5-2-8)23-14(16)17/h1-7,14H,(H,18,20)
InChIKeyFMQISVJFOVSMEF-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.59
Rot. Bonds5

About 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide

4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 26696939) has the molecular formula C14H9F3N2O4 and a molecular weight of 326.23 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID26696939
Molecular FormulaC14H9F3N2O4
Molecular Weight326.23 g/mol
Exact Mass326.05
IUPAC Name4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H9F3N2O4/c15-11-6-3-9(7-12(11)19(21)22)18-13(20)8-1-4-10(5-2-8)23-14(16)17/h1-7,14H,(H,18,20)
InChIKeyFMQISVJFOVSMEF-UHFFFAOYSA-N
XLogP3.59
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.59
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-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
4-chloro-N-[4-(difluoromethoxy)phenyl]-2-nitrobenzamide
CID 9405128
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
4-(difluoromethoxy)-N-naphthalen-2-ylbenzamide
CID 2666065
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
CID 43215672
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
N-[4-(difluoromethoxy)phenyl]-2,4-dinitrobenzamide
CID 2315816
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide (CID 26696939) is 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is FMQISVJFOVSMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4/c15-11-6-3-9(7-12(11)19(21)22)18-13(20)8-1-4-10(5-2-8)23-14(16)17/h1-7,14H,(H,18,20).
What are the key properties of 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide?
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 26696939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).