2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide

C13H6ClF3N2O3 — CID 26696948

IUPAC2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6ClF3N2O3/c14-8-5-11(17)10(16)4-7(8)13(20)18-6-1-2-9(15)12(3-6)19(21)22/h1-5H,(H,18,20)
InChIKeyYGBOARBKWAIAAO-UHFFFAOYSA-N
MW330.65 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide

2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide (PubChem CID 26696948) has the molecular formula C13H6ClF3N2O3 and a molecular weight of 330.65 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
PubChem CID26696948
Molecular FormulaC13H6ClF3N2O3
Molecular Weight330.65 g/mol
Exact Mass330.00
IUPAC Name2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
SMILESO=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C13H6ClF3N2O3/c14-8-5-11(17)10(16)4-7(8)13(20)18-6-1-2-9(15)12(3-6)19(21)22/h1-5H,(H,18,20)
InChIKeyYGBOARBKWAIAAO-UHFFFAOYSA-N
XLogP3.92
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', '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

4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide (CID 26696948) is 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide is O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide?
The InChIKey is YGBOARBKWAIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O3/c14-8-5-11(17)10(16)4-7(8)13(20)18-6-1-2-9(15)12(3-6)19(21)22/h1-5H,(H,18,20).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide?
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide has a molecular weight of 330.65 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide is sourced from PubChem (CID 26696948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).