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

C13H9ClFN3O3 — CID 115548490

IUPAC3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyZFGZVZJPKMVDST-UHFFFAOYSA-N
MW309.68 g/mol
LogP3.22
Rot. Bonds3

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

3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide (PubChem CID 115548490) has the molecular formula C13H9ClFN3O3 and a molecular weight of 309.68 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
PubChem CID115548490
Molecular FormulaC13H9ClFN3O3
Molecular Weight309.68 g/mol
Exact Mass309.03
IUPAC Name3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
SMILESNc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C13H9ClFN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyZFGZVZJPKMVDST-UHFFFAOYSA-N
XLogP3.22
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.68
LogP ≤ 53.22
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

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3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
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2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
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3-(5-chloro-2-fluoroanilino)-2-nitrobenzoic acid
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2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
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N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide (CID 115548490) is 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide is Nc1cccc(C(=O)Nc2cc(Cl)ccc2F)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide?
The InChIKey is ZFGZVZJPKMVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O3/c14-7-4-5-9(15)11(6-7)17-13(19)8-2-1-3-10(16)12(8)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide?
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide has a molecular weight of 309.68 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide is sourced from PubChem (CID 115548490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).