2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide

C19H13FN2O4 — CID 23733524

IUPAC2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F
InChIInChI=1S/C19H13FN2O4/c20-18-4-2-1-3-17(18)19(23)21-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)22(24)25/h1-12H,(H,21,23)
InChIKeyLZMXYCWZUDRKHH-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.78
Rot. Bonds5

About 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide

2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide (PubChem CID 23733524) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
PubChem CID23733524
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F
InChIInChI=1S/C19H13FN2O4/c20-18-4-2-1-3-17(18)19(23)21-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)22(24)25/h1-12H,(H,21,23)
InChIKeyLZMXYCWZUDRKHH-UHFFFAOYSA-N
XLogP4.78
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.78
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

2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 88891604
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
2,6-difluoro-N-(4-nitrophenyl)benzamide
CID 2841260
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-(3,4-dihydroxyphenyl)-2-(4-nitrophenoxy)benzamide
CID 70868013
2-fluoro-N-[3-(4-nitroanilino)propyl]benzamide
CID 5347228
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide (CID 23733524) is 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide is O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The InChIKey is LZMXYCWZUDRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c20-18-4-2-1-3-17(18)19(23)21-13-5-9-15(10-6-13)26-16-11-7-14(8-12-16)22(24)25/h1-12H,(H,21,23).
What are the key properties of 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide has a molecular weight of 352.32 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide is sourced from PubChem (CID 23733524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).