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

C18H20FNO2 — CID 78797061

IUPAC4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO2/c1-4-13-5-8-15(9-6-13)18(21)20(2)12-14-7-10-17(22-3)16(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyPXOKGYONCXTIDB-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.67
Rot. Bonds5

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

4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 78797061) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID78797061
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cc1
InChIInChI=1S/C18H20FNO2/c1-4-13-5-8-15(9-6-13)18(21)20(2)12-14-7-10-17(22-3)16(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyPXOKGYONCXTIDB-UHFFFAOYSA-N
XLogP3.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 86978090
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 32762574
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 17447067
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 17414612
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299345

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide (CID 78797061) is 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is CCc1ccc(C(=O)N(C)Cc2ccc(OC)c(F)c2)cc1.
What is the InChIKey of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is PXOKGYONCXTIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-4-13-5-8-15(9-6-13)18(21)20(2)12-14-7-10-17(22-3)16(19)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide?
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78797061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).