N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide

C13H8ClFN2O3 — CID 18542951

IUPACN-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-10-7-8(5-6-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18)
InChIKeyGSDRUMSAEJWDLM-UHFFFAOYSA-N
MW294.67 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide

N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide (PubChem CID 18542951) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
PubChem CID18542951
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC NameN-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1F
InChIInChI=1S/C13H8ClFN2O3/c14-10-7-8(5-6-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18)
InChIKeyGSDRUMSAEJWDLM-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-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
2-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 79118519
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide?
The IUPAC name of N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide (CID 18542951) is N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide?
The canonical SMILES for N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccccc1F.
What is the InChIKey of N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide?
The InChIKey is GSDRUMSAEJWDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-10-7-8(5-6-12(10)17(19)20)16-13(18)9-3-1-2-4-11(9)15/h1-7H,(H,16,18).
What are the key properties of N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide?
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide 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-(3-chloro-4-nitrophenyl)-2-fluorobenzamide is sourced from PubChem (CID 18542951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).