2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide

C13H7ClF2N2O3 — CID 773721

IUPAC2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-6-8(18(20)21)2-3-9(10)13(19)17-12-4-1-7(15)5-11(12)16/h1-6H,(H,17,19)
InChIKeyARTCUTQGUVJVLD-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide

2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide (PubChem CID 773721) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
PubChem CID773721
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H7ClF2N2O3/c14-10-6-8(18(20)21)2-3-9(10)13(19)17-12-4-1-7(15)5-11(12)16/h1-6H,(H,17,19)
InChIKeyARTCUTQGUVJVLD-UHFFFAOYSA-N
XLogP3.78
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
2-chloro-N-(5-chloro-2-piperidin-1-ylphenyl)-4-nitrobenzamide
CID 7922555
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(2,4-difluorophenyl)propanamide
CID 8956858

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide (CID 773721) is 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide is O=C(Nc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide?
The InChIKey is ARTCUTQGUVJVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-10-6-8(18(20)21)2-3-9(10)13(19)17-12-4-1-7(15)5-11(12)16/h1-6H,(H,17,19).
What are the key properties of 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide?
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide has a molecular weight of 312.66 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 773721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).