N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide

C13H8ClFN2O3 — CID 43377429

IUPACN-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyNUTSWIIMUSSKRY-UHFFFAOYSA-N
MW294.67 g/mol
LogP3.64
Rot. Bonds3

About N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide

N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide (PubChem CID 43377429) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
PubChem CID43377429
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC NameN-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18)
InChIKeyNUTSWIIMUSSKRY-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

2-fluoro-N-(4-methylphenyl)-5-nitrobenzamide
CID 43377467
2-fluoro-N-(4-iodophenyl)-5-nitrobenzamide
CID 43377569
2-fluoro-5-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 170761389
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
N-(4-bromo-3-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 103824688
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
N-(6-amino-3-pyridinyl)-2-fluoro-5-nitrobenzamide
CID 62901689
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide (CID 43377429) is N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide is O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide?
The InChIKey is NUTSWIIMUSSKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-8-1-3-9(4-2-8)16-13(18)11-7-10(17(19)20)5-6-12(11)15/h1-7H,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide?
N-(4-chlorophenyl)-2-fluoro-5-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-chlorophenyl)-2-fluoro-5-nitrobenzamide is sourced from PubChem (CID 43377429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).