N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide

C19H12FN3O6 — CID 60528366

IUPACN-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C19H12FN3O6/c20-16-8-6-13(23(27)28)11-17(16)21-19(24)15-10-12(22(25)26)7-9-18(15)29-14-4-2-1-3-5-14/h1-11H,(H,21,24)
InChIKeyOVVWDZKYRAGEPK-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.69
Rot. Bonds6

About N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide

N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide (PubChem CID 60528366) has the molecular formula C19H12FN3O6 and a molecular weight of 397.32 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
PubChem CID60528366
Molecular FormulaC19H12FN3O6
Molecular Weight397.32 g/mol
Exact Mass397.07
IUPAC NameN-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C19H12FN3O6/c20-16-8-6-13(23(27)28)11-17(16)21-19(24)15-10-12(22(25)26)7-9-18(15)29-14-4-2-1-3-5-14/h1-11H,(H,21,24)
InChIKeyOVVWDZKYRAGEPK-UHFFFAOYSA-N
XLogP4.69
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 55752798
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(2-fluoro-5-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952710
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
2-(3,4-difluorophenoxy)-5-nitrobenzoic acid
CID 43399553
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide (CID 60528366) is N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide?
The InChIKey is OVVWDZKYRAGEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O6/c20-16-8-6-13(23(27)28)11-17(16)21-19(24)15-10-12(22(25)26)7-9-18(15)29-14-4-2-1-3-5-14/h1-11H,(H,21,24).
What are the key properties of N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide?
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide has a molecular weight of 397.32 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide is sourced from PubChem (CID 60528366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).