2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

C18H20FNO3 — CID 78796966

IUPAC2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H20FNO3/c1-4-23-16-8-6-5-7-14(16)18(21)20(2)12-13-9-10-17(22-3)15(19)11-13/h5-11H,4,12H2,1-3H3
InChIKeyOONPODAYOLNZIZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.51
Rot. Bonds6

About 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide

2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 78796966) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID78796966
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C18H20FNO3/c1-4-23-16-8-6-5-7-14(16)18(21)20(2)12-13-9-10-17(22-3)15(19)11-13/h5-11H,4,12H2,1-3H3
InChIKeyOONPODAYOLNZIZ-UHFFFAOYSA-N
XLogP3.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-phenylmethoxybenzamide
CID 8933781
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18115905
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
2-benzamido-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796586
(3-fluoro-4-methoxyphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 8662119
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (CID 78796966) is 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is CCOc1ccccc1C(=O)N(C)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is OONPODAYOLNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-4-23-16-8-6-5-7-14(16)18(21)20(2)12-13-9-10-17(22-3)15(19)11-13/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 317.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78796966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).