N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide

C16H15FN2O5 — CID 102560043

IUPACN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O5/c1-24-14(10-5-7-11(17)8-6-10)9-18-16(21)12-3-2-4-13(15(12)20)19(22)23/h2-8,14,20H,9H2,1H3,(H,18,21)
InChIKeyMUJFHBUINMOFFJ-UHFFFAOYSA-N
MW334.30 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide

N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide (PubChem CID 102560043) has the molecular formula C16H15FN2O5 and a molecular weight of 334.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
PubChem CID102560043
Molecular FormulaC16H15FN2O5
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide
SMILESCOC(CNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccc(F)cc1
InChIInChI=1S/C16H15FN2O5/c1-24-14(10-5-7-11(17)8-6-10)9-18-16(21)12-3-2-4-13(15(12)20)19(22)23/h2-8,14,20H,9H2,1H3,(H,18,21)
InChIKeyMUJFHBUINMOFFJ-UHFFFAOYSA-N
XLogP2.56
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-4-hydroxy-3-nitrobenzamide
CID 99576989
2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 103800130
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90623331
5-chloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90622984
2-hydroxy-N-(2-methylsulfanylpropyl)-3-nitrobenzamide
CID 113322559
N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90598746
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-nitrobenzamide
CID 90623723
N-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-2-methylfuran-3-carboxamide
CID 124504826
N-[(2R)-2-(4-fluorophenoxy)propyl]-2-iodo-3-nitrobenzamide
CID 99783411
2-hydroxy-3-nitro-N-prop-2-ynylbenzamide
CID 103746299
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methyl-2-nitrobenzamide
CID 78866877
N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-2-nitrobenzamide
CID 90536393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide (CID 102560043) is N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide is COC(CNC(=O)c1cccc([N+](=O)[O-])c1O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide?
The InChIKey is MUJFHBUINMOFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5/c1-24-14(10-5-7-11(17)8-6-10)9-18-16(21)12-3-2-4-13(15(12)20)19(22)23/h2-8,14,20H,9H2,1H3,(H,18,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide?
N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide has a molecular weight of 334.30 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 102560043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).