4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C17H18FNO2 — CID 78770402

IUPAC4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-3-21-16-10-6-14(7-11-16)17(20)19(2)12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3
InChIKeyOFJURYFGXJAENH-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.50
Rot. Bonds5

About 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 78770402) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID78770402
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO2/c1-3-21-16-10-6-14(7-11-16)17(20)19(2)12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3
InChIKeyOFJURYFGXJAENH-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(phenylcarbamoylamino)benzamide
CID 55370905
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 34865342
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55650557
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 78770402) is 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CCOc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is OFJURYFGXJAENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-3-21-16-10-6-14(7-11-16)17(20)19(2)12-13-4-8-15(18)9-5-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 78770402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).