4-[(3-fluorophenoxy)methyl]-3-methylbenzamide

C15H14FNO2 — CID 114486229

IUPAC4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNZNYPCWDZMLDRD-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.81
Rot. Bonds4

About 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide

4-[(3-fluorophenoxy)methyl]-3-methylbenzamide (PubChem CID 114486229) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
PubChem CID114486229
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1COc1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H2,17,18)
InChIKeyNZNYPCWDZMLDRD-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
4-[(4-bromo-3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114482373
4-[(4-chlorophenoxy)methyl]-3-methylbenzamide
CID 114486227
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
[3-[(4-fluoro-2-methylphenyl)methoxy]phenyl]boronic acid
CID 114346391
3-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117219656
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
4-[(3-methoxyphenoxy)methyl]-3-methylbenzenecarbothioamide
CID 114482204
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
4-[(2-amino-6-bromophenoxy)methyl]-3-methylbenzamide
CID 114479028
(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
CID 66635454

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide (CID 114486229) is 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1COc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide?
The InChIKey is NZNYPCWDZMLDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-7-11(15(17)18)5-6-12(10)9-19-14-4-2-3-13(16)8-14/h2-8H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide?
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide has a molecular weight of 259.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 114486229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).