2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide

C14H11FN2O4 — CID 91681710

IUPAC2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F
InChIInChI=1S/C14H11FN2O4/c15-12-4-2-1-3-9(12)8-21-13-6-5-10(17(19)20)7-11(13)14(16)18/h1-7H,8H2,(H2,16,18)
InChIKeyOCNRRGVIQXUDTE-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.41
Rot. Bonds5

About 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide

2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide (PubChem CID 91681710) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
PubChem CID91681710
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC Name2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
SMILESNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F
InChIInChI=1S/C14H11FN2O4/c15-12-4-2-1-3-9(12)8-21-13-6-5-10(17(19)20)7-11(13)14(16)18/h1-7H,8H2,(H2,16,18)
InChIKeyOCNRRGVIQXUDTE-UHFFFAOYSA-N
XLogP2.41
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
2-aminooxy-5-nitrobenzamide
CID 79421918
ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate
CID 1420349
methyl 2-[(2-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681745
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132
3-[(2-fluorophenyl)methoxy]-5-nitroaniline
CID 80876570
2-(2-amino-2-methylbutoxy)-5-nitrobenzamide
CID 64574498
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
2-[(2-amino-3-nitrophenyl)methoxy]benzamide
CID 107352179
(E)-3-[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]-2-(3-nitrobenzoyl)prop-2-enenitrile
CID 21381634
2-[(2-chloro-4-nitrophenoxy)methyl]benzenecarboximidamide
CID 61030670

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide?
The IUPAC name of 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide (CID 91681710) is 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide?
The canonical SMILES for 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide is NC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide?
The InChIKey is OCNRRGVIQXUDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c15-12-4-2-1-3-9(12)8-21-13-6-5-10(17(19)20)7-11(13)14(16)18/h1-7H,8H2,(H2,16,18).
What are the key properties of 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide?
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide is sourced from PubChem (CID 91681710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).