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

C13H18FNO3 — CID 115902345

IUPAC2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO3/c1-10-3-4-11(12(14)9-10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyJBYWVFCMPKYLRD-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.22
Rot. Bonds6

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

2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide (PubChem CID 115902345) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
PubChem CID115902345
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide
SMILESCOCCN(CCO)C(=O)c1ccc(C)cc1F
InChIInChI=1S/C13H18FNO3/c1-10-3-4-11(12(14)9-10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3
InChIKeyJBYWVFCMPKYLRD-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 115772675
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-methylbenzamide
CID 79796351
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
2-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-methylbenzamide
CID 61073232
5-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113351116
4-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113468064
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide?
The IUPAC name of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide (CID 115902345) is 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide is COCCN(CCO)C(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide?
The InChIKey is JBYWVFCMPKYLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-10-3-4-11(12(14)9-10)13(17)15(5-7-16)6-8-18-2/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide?
2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methylbenzamide is sourced from PubChem (CID 115902345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).