2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide

C19H10F4N2O4 — CID 88891604

IUPAC2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C19H10F4N2O4/c20-15-9-14(16(21)18(23)17(15)22)19(26)24-10-1-5-12(6-2-10)29-13-7-3-11(4-8-13)25(27)28/h1-9H,(H,24,26)
InChIKeyWUSVJWFWWWIIFG-UHFFFAOYSA-N
MW406.29 g/mol
LogP5.20
Rot. Bonds5

About 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide

2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide (PubChem CID 88891604) has the molecular formula C19H10F4N2O4 and a molecular weight of 406.29 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
PubChem CID88891604
Molecular FormulaC19H10F4N2O4
Molecular Weight406.29 g/mol
Exact Mass406.06
IUPAC Name2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C19H10F4N2O4/c20-15-9-14(16(21)18(23)17(15)22)19(26)24-10-1-5-12(6-2-10)29-13-7-3-11(4-8-13)25(27)28/h1-9H,(H,24,26)
InChIKeyWUSVJWFWWWIIFG-UHFFFAOYSA-N
XLogP5.20
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide
CID 23733524
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
2,3,4,5-tetrafluoro-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 18208238
2-chloro-4-nitro-N-(4-phenoxyphenyl)benzamide
CID 1291023
N-[4-[3-[4-[(2,4-dinitrobenzoyl)amino]phenoxy]phenoxy]phenyl]-2,4-dinitrobenzamide
CID 3095747
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide (CID 88891604) is 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide is O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
The InChIKey is WUSVJWFWWWIIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O4/c20-15-9-14(16(21)18(23)17(15)22)19(26)24-10-1-5-12(6-2-10)29-13-7-3-11(4-8-13)25(27)28/h1-9H,(H,24,26).
What are the key properties of 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide?
2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide has a molecular weight of 406.29 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[4-(4-nitrophenoxy)phenyl]benzamide is sourced from PubChem (CID 88891604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).