2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide

C13H7Cl2FN2O3 — CID 51204698

IUPAC2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-10-6-11(15)12(16)5-9(10)13(19)17-7-1-3-8(4-2-7)18(20)21/h1-6H,(H,17,19)
InChIKeyLFHKOFQOBFCYEB-UHFFFAOYSA-N
MW329.11 g/mol
LogP4.29
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide

2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide (PubChem CID 51204698) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
PubChem CID51204698
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-10-6-11(15)12(16)5-9(10)13(19)17-7-1-3-8(4-2-7)18(20)21/h1-6H,(H,17,19)
InChIKeyLFHKOFQOBFCYEB-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
2,4-dichloro-5-fluoro-N-pyridin-4-ylbenzamide
CID 27700283
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
3,5-dichloro-2-hydroxy-N-(4-nitrophenyl)benzamide
CID 3271615
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2-chloro-4-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2988054
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2,3-dichloro-N-(4-nitrophenyl)benzamide
CID 2896612

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide (CID 51204698) is 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide?
The InChIKey is LFHKOFQOBFCYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-10-6-11(15)12(16)5-9(10)13(19)17-7-1-3-8(4-2-7)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide?
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide 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 2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide is sourced from PubChem (CID 51204698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).