N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide

C13H8ClFN2O3 — CID 4173118

IUPACN-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-6-12(11(15)7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18)
InChIKeyOQXOGIPZRXTYSX-UHFFFAOYSA-N
MW294.67 g/mol
LogP3.64
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide

N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide (PubChem CID 4173118) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
PubChem CID4173118
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC NameN-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H8ClFN2O3/c14-9-3-6-12(11(15)7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18)
InChIKeyOQXOGIPZRXTYSX-UHFFFAOYSA-N
XLogP3.64
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 53.64
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

N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4158192
3-chloro-N-(2-fluoro-4-nitrophenyl)-4-iodobenzamide
CID 103738031
N-(4-chloro-2-fluorophenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
CID 1014836
3-bromo-5-chloro-N-(2-fluoro-4-nitrophenyl)benzamide
CID 103827004
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(4-chloro-2-fluorophenyl)-4-hydrazinylbenzamide
CID 62241320
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
CID 9099675
5-hydroxy-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 4982404
N-(4-bromo-2-fluorophenyl)-3,5-dinitrobenzamide
CID 4159361

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide (CID 4173118) is N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide is O=C(Nc1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide?
The InChIKey is OQXOGIPZRXTYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-9-3-6-12(11(15)7-9)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,(H,16,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide?
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide has a molecular weight of 294.67 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 4173118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).