N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide

C13H7ClF2N2O3 — CID 69363833

IUPACN-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F
InChIInChI=1S/C13H7ClF2N2O3/c14-7-4-5-11(18(20)21)10(6-7)17-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,17,19)
InChIKeyHEBUGUZIMCGBML-UHFFFAOYSA-N
MW312.66 g/mol
LogP3.78
Rot. Bonds3

About N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide

N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide (PubChem CID 69363833) has the molecular formula C13H7ClF2N2O3 and a molecular weight of 312.66 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
PubChem CID69363833
Molecular FormulaC13H7ClF2N2O3
Molecular Weight312.66 g/mol
Exact Mass312.01
IUPAC NameN-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F
InChIInChI=1S/C13H7ClF2N2O3/c14-7-4-5-11(18(20)21)10(6-7)17-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,17,19)
InChIKeyHEBUGUZIMCGBML-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

2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
N-(5-chloro-2-nitrophenyl)-N-(2,6-difluorobenzoyl)-2,6-difluorobenzamide
CID 69364164
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
N-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669
N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912
3-amino-N-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807360
N-(4-bromo-2-fluorophenyl)-2-chloro-6-nitrobenzamide
CID 63658381

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide (CID 69363833) is N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide is O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1c(F)cccc1F.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide?
The InChIKey is HEBUGUZIMCGBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2O3/c14-7-4-5-11(18(20)21)10(6-7)17-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,17,19).
What are the key properties of N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide?
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide 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 N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 69363833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).