3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide

C13H7ClF2N2O3 — CID 82775247

IUPAC3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7ClF2N2O3/c14-8-6-7(4-5-11(8)18(20)21)13(19)17-12-9(15)2-1-3-10(12)16/h1-6H,(H,17,19)
InChIKeyXKXOHOUYRWPVKE-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide

3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide (PubChem CID 82775247) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
PubChem CID82775247
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC Name3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C13H7ClF2N2O3/c14-8-6-7(4-5-11(8)18(20)21)13(19)17-12-9(15)2-1-3-10(12)16/h1-6H,(H,17,19)
InChIKeyXKXOHOUYRWPVKE-UHFFFAOYSA-N
XLogP3.78
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.66
LogP ≤ 53.78
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-chloro-N-(2-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 103873201
3-chloro-N-(2-methyl-6-propan-2-ylphenyl)-4-nitrobenzamide
CID 840735
N-(2-bromo-4-fluorophenyl)-3-chloro-4-nitrobenzamide
CID 82778464
3-chloro-N-(6-methyl-2-pyridinyl)-4-nitrobenzamide
CID 82780242
3-chloro-N-(2-chloro-4-methyl-3-pyridinyl)-4-nitrobenzamide
CID 82776473
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
3-chloro-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzamide
CID 82778769
3-chloro-N-(2-chloro-3-pyridinyl)-4-nitrobenzamide
CID 821596
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide?
The IUPAC name of 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide (CID 82775247) is 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide is O=C(Nc1c(F)cccc1F)c1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide?
The InChIKey is XKXOHOUYRWPVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-8-6-7(4-5-11(8)18(20)21)13(19)17-12-9(15)2-1-3-10(12)16/h1-6H,(H,17,19).
What are the key properties of 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide?
3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide has a molecular weight of 312.66 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-difluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 82775247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).