3-[(2-fluorophenyl)methoxy]-5-nitroaniline

C13H11FN2O3 — CID 80876570

IUPAC3-[(2-fluorophenyl)methoxy]-5-nitroaniline
SMILESNc1cc(OCc2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN2O3/c14-13-4-2-1-3-9(13)8-19-12-6-10(15)5-11(7-12)16(17)18/h1-7H,8,15H2
InChIKeyICUGMZSLRLVGHV-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.90
Rot. Bonds4

About 3-[(2-fluorophenyl)methoxy]-5-nitroaniline

3-[(2-fluorophenyl)methoxy]-5-nitroaniline (PubChem CID 80876570) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-5-nitroaniline.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-5-nitroaniline
PubChem CID80876570
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-[(2-fluorophenyl)methoxy]-5-nitroaniline
SMILESNc1cc(OCc2ccccc2F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H11FN2O3/c14-13-4-2-1-3-9(13)8-19-12-6-10(15)5-11(7-12)16(17)18/h1-7H,8,15H2
InChIKeyICUGMZSLRLVGHV-UHFFFAOYSA-N
XLogP2.90
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.90
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'}

Analyze 3-[(2-fluorophenyl)methoxy]-5-nitroaniline 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

3-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 112648486
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710
(4-nitrophenyl) (E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 98469177
3-but-3-ynoxy-5-nitroaniline
CID 106795604
6-[(2-fluorophenyl)methoxy]-2-[(4-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 1422839
4-nitro-2-[(3-nitrophenoxy)methyl]aniline
CID 62195790
2-nitro-6-[(3-nitrophenoxy)methyl]aniline
CID 107352074
2-[(3,5-difluorophenoxy)methyl]-6-nitroaniline
CID 107352365
(2-fluorophenyl)methyl 3-amino-5-ethoxybenzoate
CID 81094701
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-nitroaniline?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-5-nitroaniline (CID 80876570) is 3-[(2-fluorophenyl)methoxy]-5-nitroaniline.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-5-nitroaniline?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-5-nitroaniline is Nc1cc(OCc2ccccc2F)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-5-nitroaniline?
The InChIKey is ICUGMZSLRLVGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c14-13-4-2-1-3-9(13)8-19-12-6-10(15)5-11(7-12)16(17)18/h1-7H,8,15H2.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-5-nitroaniline?
3-[(2-fluorophenyl)methoxy]-5-nitroaniline has a molecular weight of 262.24 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-5-nitroaniline is sourced from PubChem (CID 80876570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).