2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide

C13H7Cl2FN2O3 — CID 115930885

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-9-6-7(4-5-10(9)16)17-13(19)8-2-1-3-11(12(8)15)18(20)21/h1-6H,(H,17,19)
InChIKeyITECSKOOTZJUMZ-UHFFFAOYSA-N
MW329.11 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide

2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide (PubChem CID 115930885) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
PubChem CID115930885
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C13H7Cl2FN2O3/c14-9-6-7(4-5-10(9)16)17-13(19)8-2-1-3-11(12(8)15)18(20)21/h1-6H,(H,17,19)
InChIKeyITECSKOOTZJUMZ-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

2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 18271698
3-amino-2-chloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 112574586
2-chloro-N-(3-fluoro-5-methylphenyl)-3-nitrobenzamide
CID 115931324
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763
N-(3-chloro-4-fluorophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27896493
N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-nitrobenzamide
CID 26167245
2-bromo-N-(3-bromo-4-fluorophenyl)-3-nitrobenzamide
CID 104776958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide (CID 115930885) is 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide?
The InChIKey is ITECSKOOTZJUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-9-6-7(4-5-10(9)16)17-13(19)8-2-1-3-11(12(8)15)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-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 2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 115930885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).