4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide

C18H20FNO2 — CID 86937954

IUPAC4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C18H20FNO2/c1-4-22-17-9-8-15(10-13(17)2)18(21)20(3)12-14-6-5-7-16(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyDPTQOZSYELNHLE-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.81
Rot. Bonds5

About 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide

4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 86937954) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID86937954
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1C
InChIInChI=1S/C18H20FNO2/c1-4-22-17-9-8-15(10-13(17)2)18(21)20(3)12-14-6-5-7-16(19)11-14/h5-11H,4,12H2,1-3H3
InChIKeyDPTQOZSYELNHLE-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 112777582
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 55373690
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide (CID 86937954) is 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide is CCOc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1C.
What is the InChIKey of 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is DPTQOZSYELNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-4-22-17-9-8-15(10-13(17)2)18(21)20(3)12-14-6-5-7-16(19)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide?
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 301.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 86937954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).