5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide

C19H11F3N2O4 — CID 55752798

IUPAC5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C19H11F3N2O4/c20-14-7-8-15(18(22)17(14)21)23-19(25)13-10-11(24(26)27)6-9-16(13)28-12-4-2-1-3-5-12/h1-10H,(H,23,25)
InChIKeyDNJZPNFRAHNVCD-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.06
Rot. Bonds5

About 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide

5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 55752798) has the molecular formula C19H11F3N2O4 and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID55752798
Molecular FormulaC19H11F3N2O4
Molecular Weight388.30 g/mol
Exact Mass388.07
IUPAC Name5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
InChIInChI=1S/C19H11F3N2O4/c20-14-7-8-15(18(22)17(14)21)23-19(25)13-10-11(24(26)27)6-9-16(13)28-12-4-2-1-3-5-12/h1-10H,(H,23,25)
InChIKeyDNJZPNFRAHNVCD-UHFFFAOYSA-N
XLogP5.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
2-chloro-N-(5-chloro-2-phenoxyphenyl)-5-nitrobenzamide
CID 21372734
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
5-nitro-2-phenoxybenzoyl chloride
CID 21406549
N-(5-bromo-2-pyridinyl)-5-nitro-2-phenoxybenzamide
CID 52636946
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
2-(3,4-difluorophenoxy)-5-nitrobenzoic acid
CID 43399553
N-[3-(ethylcarbamoyl)phenyl]-5-nitro-2-phenoxybenzamide
CID 55757498
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-nitro-2-phenoxybenzamide
CID 49169005
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide (CID 55752798) is 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1Oc1ccccc1.
What is the InChIKey of 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is DNJZPNFRAHNVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O4/c20-14-7-8-15(18(22)17(14)21)23-19(25)13-10-11(24(26)27)6-9-16(13)28-12-4-2-1-3-5-12/h1-10H,(H,23,25).
What are the key properties of 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide?
5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 388.30 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenoxy-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 55752798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).