3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide

C14H12FN3O3 — CID 115548339

IUPAC3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-12(8)17-14(19)10-3-2-4-11(16)13(10)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyZKZQZXULBRSTHO-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.88
Rot. Bonds3

About 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide

3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide (PubChem CID 115548339) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
PubChem CID115548339
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-12(8)17-14(19)10-3-2-4-11(16)13(10)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyZKZQZXULBRSTHO-UHFFFAOYSA-N
XLogP2.88
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.88
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

3-amino-N-(4-fluoro-2-iodophenyl)-2-nitrobenzamide
CID 115549276
2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
3-amino-N-(5-chloro-2-fluorophenyl)-2-nitrobenzamide
CID 115548490
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
3-(5-fluoro-2-methylanilino)-2-nitrobenzoic acid
CID 115542088
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(2-bromo-5-fluorophenyl)-3-chloro-2-nitrobenzamide
CID 103753378
3-amino-N-(5-bromo-2-chlorophenyl)-2-nitrobenzamide
CID 115548977

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide (CID 115548339) is 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide is Cc1ccc(F)cc1NC(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide?
The InChIKey is ZKZQZXULBRSTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-12(8)17-14(19)10-3-2-4-11(16)13(10)18(20)21/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide?
3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 2.88, 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-fluoro-2-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 115548339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).