4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide

C11H13FN2O5 — CID 60747545

IUPAC4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
SMILESO=C(NCCOCCO)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O5/c12-9-2-1-8(7-10(9)14(17)18)11(16)13-3-5-19-6-4-15/h1-2,7,15H,3-6H2,(H,13,16)
InChIKeyQVPIUMAKSUBGPO-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.47
Rot. Bonds7

About 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide

4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide (PubChem CID 60747545) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
PubChem CID60747545
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
SMILESO=C(NCCOCCO)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H13FN2O5/c12-9-2-1-8(7-10(9)14(17)18)11(16)13-3-5-19-6-4-15/h1-2,7,15H,3-6H2,(H,13,16)
InChIKeyQVPIUMAKSUBGPO-UHFFFAOYSA-N
XLogP0.47
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
N-[2-(2-bromoethoxy)ethyl]-4-methyl-3-nitrobenzamide
CID 113274333
N-(2,2-dimethoxyethyl)-4-fluoro-3-nitrobenzamide
CID 61249664
N-(cyclopropylmethyl)-4-fluoro-3-nitrobenzamide
CID 43244057
4-[(4-fluoro-3-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107831774
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
CID 43215642
N-[2-(2-chloroethoxy)ethyl]-4-methyl-3-nitrobenzamide
CID 114297542
4-fluoro-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628138
4-bromo-3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 60730880
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzamide
CID 115700380
4-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-3-nitrobenzamide
CID 113293753
N-(cyanomethyl)-4-fluoro-3-nitrobenzamide
CID 61249673

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide?
The IUPAC name of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide (CID 60747545) is 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide is O=C(NCCOCCO)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide?
The InChIKey is QVPIUMAKSUBGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5/c12-9-2-1-8(7-10(9)14(17)18)11(16)13-3-5-19-6-4-15/h1-2,7,15H,3-6H2,(H,13,16).
What are the key properties of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide?
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide has a molecular weight of 272.23 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide is sourced from PubChem (CID 60747545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).