3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide

C13H7Cl2FN2O3 — CID 103873201

IUPAC3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-9-3-2-8(16)6-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19)
InChIKeyGKHUHMPNRACTCW-UHFFFAOYSA-N
MW329.11 g/mol
LogP4.29
Rot. Bonds3

About 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide

3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide (PubChem CID 103873201) has the molecular formula C13H7Cl2FN2O3 and a molecular weight of 329.11 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
PubChem CID103873201
Molecular FormulaC13H7Cl2FN2O3
Molecular Weight329.11 g/mol
Exact Mass327.98
IUPAC Name3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7Cl2FN2O3/c14-9-3-2-8(16)6-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19)
InChIKeyGKHUHMPNRACTCW-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

N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
CID 82775247
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
N-(2-chloro-5-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956903
N-(2-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
CID 26363954
3-bromo-4-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952918
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
3-chloro-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzamide
CID 82778769
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
N-(5-fluoro-2-nitrophenyl)-3-hydroxybenzamide
CID 110462704
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide (CID 103873201) is 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide is O=C(Nc1cc(F)ccc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide?
The InChIKey is GKHUHMPNRACTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN2O3/c14-9-3-2-8(16)6-11(9)17-13(19)7-1-4-12(18(20)21)10(15)5-7/h1-6H,(H,17,19).
What are the key properties of 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide?
3-chloro-N-(2-chloro-5-fluorophenyl)-4-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 3-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 103873201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).