4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide

C17H18FNO2 — CID 59165597

IUPAC4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide
SMILESCOC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H18FNO2/c1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13/h4-11,16H,1-3H3
InChIKeyKFVDTJOJUMYMQE-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.26
Rot. Bonds4

About 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide

4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide (PubChem CID 59165597) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide
PubChem CID59165597
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide
SMILESCOC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C17H18FNO2/c1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13/h4-11,16H,1-3H3
InChIKeyKFVDTJOJUMYMQE-UHFFFAOYSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide (CID 59165597) is 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide is COC(c1ccc(F)cc1)c1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide?
The InChIKey is KFVDTJOJUMYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-19(2)17(20)14-6-4-12(5-7-14)16(21-3)13-8-10-15(18)11-9-13/h4-11,16H,1-3H3.
What are the key properties of 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide?
4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide has a molecular weight of 287.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-methoxymethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59165597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).