2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide

C13H9F2N3O3 — CID 115936339

IUPAC2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9F2N3O3/c14-7-4-5-9(15)10(6-7)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyJXRFEALKHWOJCR-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide

2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide (PubChem CID 115936339) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
PubChem CID115936339
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
SMILESNc1c(C(=O)Nc2cc(F)ccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H9F2N3O3/c14-7-4-5-9(15)10(6-7)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyJXRFEALKHWOJCR-UHFFFAOYSA-N
XLogP2.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-amino-N-(3-chlorophenyl)-3-nitrobenzamide
CID 115677622
2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide
CID 103732791
2,4-difluoro-N-(2-nitrophenyl)benzamide
CID 4779161
2-amino-N-(5-bromo-2-chlorophenyl)-3-nitrobenzamide
CID 115678920
N-(2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 710979
3-bromo-2-fluoro-N-(5-fluoro-2-nitrophenyl)benzamide
CID 107952917
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
CID 115548490
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide (CID 115936339) is 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide is Nc1c(C(=O)Nc2cc(F)ccc2F)cccc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide?
The InChIKey is JXRFEALKHWOJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-7-4-5-9(15)10(6-7)17-13(19)8-2-1-3-11(12(8)16)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide?
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide has a molecular weight of 293.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 115936339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).