2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide

C14H12FN3O3 — CID 115703339

IUPAC2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1
InChIInChI=1S/C14H12FN3O3/c1-17(10-5-2-4-9(15)8-10)14(19)11-6-3-7-12(13(11)16)18(20)21/h2-8H,16H2,1H3
InChIKeyZTOGSHRAZPGQBI-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.59
Rot. Bonds3

About 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide

2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide (PubChem CID 115703339) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
PubChem CID115703339
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide
SMILESCN(C(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1
InChIInChI=1S/C14H12FN3O3/c1-17(10-5-2-4-9(15)8-10)14(19)11-6-3-7-12(13(11)16)18(20)21/h2-8H,16H2,1H3
InChIKeyZTOGSHRAZPGQBI-UHFFFAOYSA-N
XLogP2.59
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
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,N-dimethyl-3-nitrobenzamide
CID 58736106
3-chloro-N-(3-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 82776222
N-methyl-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 22245166
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
2-fluoro-N-(3-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 114037685
2-amino-4-bromo-N-(3-fluorophenyl)-N-methylbenzamide
CID 79722420
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
2-amino-N-(2,5-difluorophenyl)-3-nitrobenzamide
CID 115936339
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide (CID 115703339) is 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide is CN(C(=O)c1cccc([N+](=O)[O-])c1N)c1cccc(F)c1.
What is the InChIKey of 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide?
The InChIKey is ZTOGSHRAZPGQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-17(10-5-2-4-9(15)8-10)14(19)11-6-3-7-12(13(11)16)18(20)21/h2-8H,16H2,1H3.
What are the key properties of 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide?
2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluorophenyl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 115703339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).