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

C14H12FN3O3 — CID 115678487

IUPAC2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-11(8)17-14(19)10-3-2-4-12(13(10)16)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyMGCVPGUTMJHYSI-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.88
Rot. Bonds3

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

2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide (PubChem CID 115678487) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
PubChem CID115678487
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1N
InChIInChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-11(8)17-14(19)10-3-2-4-12(13(10)16)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyMGCVPGUTMJHYSI-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

2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 115548339
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
2-methyl-N-(2-methyl-5-methylsulfonylphenyl)-3-nitrobenzamide
CID 27990756
N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-nitrobenzamide
CID 103733966
2-amino-N-(2-chlorophenyl)-3-nitrobenzamide
CID 115677618
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 52561481
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
2,4-difluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 9398210
2-amino-N-(2-chloro-4-iodophenyl)-3-nitrobenzamide
CID 103732791

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide (CID 115678487) is 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide is Cc1ccc(F)cc1NC(=O)c1cccc([N+](=O)[O-])c1N.
What is the InChIKey of 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide?
The InChIKey is MGCVPGUTMJHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-5-6-9(15)7-11(8)17-14(19)10-3-2-4-12(13(10)16)18(20)21/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide?
2-amino-N-(5-fluoro-2-methylphenyl)-3-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 2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide is sourced from PubChem (CID 115678487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).