2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide

C16H16FN3O6 — CID 55825075

IUPAC2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc(OC)c1OC
InChIInChI=1S/C16H16FN3O6/c1-24-12-6-9(7-13(25-2)15(12)26-3)19-16(21)10-4-8(17)5-11(14(10)18)20(22)23/h4-7H,18H2,1-3H3,(H,19,21)
InChIKeyZMLMGUVZAJYSBA-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide

2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 55825075) has the molecular formula C16H16FN3O6 and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID55825075
Molecular FormulaC16H16FN3O6
Molecular Weight365.32 g/mol
Exact Mass365.10
IUPAC Name2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc(OC)c1OC
InChIInChI=1S/C16H16FN3O6/c1-24-12-6-9(7-13(25-2)15(12)26-3)19-16(21)10-4-8(17)5-11(14(10)18)20(22)23/h4-7H,18H2,1-3H3,(H,19,21)
InChIKeyZMLMGUVZAJYSBA-UHFFFAOYSA-N
XLogP2.59
TPSA125.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-3,4,5-trimethoxy-2-nitrobenzamide
CID 27055163
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
2-amino-N-[4-(tert-butylcarbamoyl)phenyl]-5-fluoro-3-nitrobenzamide
CID 47051567
2-amino-5-fluoro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 55974376
2-amino-5-fluoro-N',N'-dimethyl-3-nitrobenzohydrazide
CID 107123296
5-fluoro-1,2-dimethoxy-3-nitrobenzene
CID 118807824
4-bromo-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26697659
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-fluoro-3-nitrobenzamide
CID 107123097
2-amino-5-fluoro-3-nitrobenzoic acid;ethane
CID 144759902
3-bromo-5-fluoro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 110426879
2,4-dimethoxy-N-(4-methoxy-3,5-dinitrophenyl)benzamide
CID 5304694
2-amino-5-fluoro-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 103720356

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide (CID 55825075) is 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cc(OC)c1OC.
What is the InChIKey of 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is ZMLMGUVZAJYSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O6/c1-24-12-6-9(7-13(25-2)15(12)26-3)19-16(21)10-4-8(17)5-11(14(10)18)20(22)23/h4-7H,18H2,1-3H3,(H,19,21).
What are the key properties of 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide?
2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 365.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-3-nitro-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 55825075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).