N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide

C13H7ClF2N2O3 — CID 103774980

IUPACN-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7ClF2N2O3/c14-7-3-9(16)5-10(4-7)17-13(19)11-6-8(15)1-2-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyLXODZSCEVAZWDT-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide

N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide (PubChem CID 103774980) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
PubChem CID103774980
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC NameN-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H7ClF2N2O3/c14-7-3-9(16)5-10(4-7)17-13(19)11-6-8(15)1-2-12(11)18(20)21/h1-6H,(H,17,19)
InChIKeyLXODZSCEVAZWDT-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

5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
5-fluoro-N-(3-iodophenyl)-2-nitrobenzamide
CID 60875450
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
N-(5-chloropyrazin-2-yl)-5-fluoro-2-nitrobenzamide
CID 107595834
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 8866239
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide (CID 103774980) is N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide is O=C(Nc1cc(F)cc(Cl)c1)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide?
The InChIKey is LXODZSCEVAZWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-7-3-9(16)5-10(4-7)17-13(19)11-6-8(15)1-2-12(11)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide?
N-(3-chloro-5-fluorophenyl)-5-fluoro-2-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 N-(3-chloro-5-fluorophenyl)-5-fluoro-2-nitrobenzamide is sourced from PubChem (CID 103774980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).