N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide

C13H7Cl2FN2O3 — CID 43215672

IUPACN-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,(H,17,19)
InChIKeyRZGMXDVKFOVQNJ-UHFFFAOYSA-N
MW329.11 g/mol
LogP4.29
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide

N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide (PubChem CID 43215672) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
PubChem CID43215672
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC NameN-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,(H,17,19)
InChIKeyRZGMXDVKFOVQNJ-UHFFFAOYSA-N
XLogP4.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 54.29
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

3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
4-fluoro-3-nitro-N-sulfanylbenzamide
CID 142948721
1-(3,5-dichlorophenyl)-3-(4-fluoro-3-nitrophenyl)thiourea
CID 17374901
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
4-fluoro-3-nitro-N-(4-propylphenyl)benzamide
CID 8732756
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide (CID 43215672) is N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide?
The InChIKey is RZGMXDVKFOVQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide?
N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide has a molecular weight of 329.11 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 43215672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).