2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide

C12H15FN2O5 — CID 115772675

IUPAC2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
SMILESCOCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O5/c1-20-7-5-14(4-6-16)12(17)10-3-2-9(15(18)19)8-11(10)13/h2-3,8,16H,4-7H2,1H3
InChIKeyUJCIDZJIHFNQIP-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.81
Rot. Bonds7

About 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide

2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide (PubChem CID 115772675) has the molecular formula C12H15FN2O5 and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
PubChem CID115772675
Molecular FormulaC12H15FN2O5
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
SMILESCOCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O5/c1-20-7-5-14(4-6-16)12(17)10-3-2-9(15(18)19)8-11(10)13/h2-3,8,16H,4-7H2,1H3
InChIKeyUJCIDZJIHFNQIP-UHFFFAOYSA-N
XLogP0.81
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
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

2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 115902345
2-chloro-N,N-bis(2-hydroxyethyl)-4-nitrobenzamide
CID 60653170
N-(2-bromoethyl)-N-ethyl-2-fluoro-4-nitrobenzamide
CID 80660162
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-fluoro-4-nitro-N-propyl-N-prop-2-ynylbenzamide
CID 78970643
N-(2-cyanoethyl)-2-iodo-N-(2-methoxyethyl)-5-nitrobenzamide
CID 63286091
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzamide
CID 60747371
2-(ethylamino)-N,N-bis(2-hydroxyethyl)-5-nitrobenzamide
CID 62180083
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264
methyl 2-[(2-fluoro-4-nitrobenzoyl)-propan-2-ylamino]acetate
CID 61062540
N-cyclobutyl-2-fluoro-N-(3-hydroxypropyl)-4-nitrobenzamide
CID 102866417
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide (CID 115772675) is 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide is COCCN(CCO)C(=O)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
The InChIKey is UJCIDZJIHFNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O5/c1-20-7-5-14(4-6-16)12(17)10-3-2-9(15(18)19)8-11(10)13/h2-3,8,16H,4-7H2,1H3.
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide?
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide has a molecular weight of 286.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide is sourced from PubChem (CID 115772675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).