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

C12H16FNO4 — CID 81284195

IUPAC4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCOCCO)ccc1F
InChIInChI=1S/C12H16FNO4/c1-17-11-8-9(2-3-10(11)13)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeyLEKKAVCUHPYCQK-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.57
Rot. Bonds7

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

4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide (PubChem CID 81284195) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
PubChem CID81284195
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCOCCO)ccc1F
InChIInChI=1S/C12H16FNO4/c1-17-11-8-9(2-3-10(11)13)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16)
InChIKeyLEKKAVCUHPYCQK-UHFFFAOYSA-N
XLogP0.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
3-[(E)-2-(4-chlorophenyl)ethenyl]-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzamide
CID 23141516
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-nitrobenzamide
CID 60747545
4-chloro-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 62498440
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
2-(3-fluoro-4-methoxyphenyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 60682387
3-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654478

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide (CID 81284195) is 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NCCOCCO)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide?
The InChIKey is LEKKAVCUHPYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-17-11-8-9(2-3-10(11)13)12(16)14-4-6-18-7-5-15/h2-3,8,15H,4-7H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide?
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide has a molecular weight of 257.26 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 81284195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).