3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide

C20H25FN2O2 — CID 59729908

IUPAC3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide
SMILESCC(C)CCN(C)Cc1ccc(Oc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(2)10-11-23(3)13-15-4-7-17(8-5-15)25-19-9-6-16(20(22)24)12-18(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,24)
InChIKeyGYTPSNSBIGOUFG-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.19
Rot. Bonds8

About 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide

3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide (PubChem CID 59729908) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide
PubChem CID59729908
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide
SMILESCC(C)CCN(C)Cc1ccc(Oc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C20H25FN2O2/c1-14(2)10-11-23(3)13-15-4-7-17(8-5-15)25-19-9-6-16(20(22)24)12-18(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,24)
InChIKeyGYTPSNSBIGOUFG-UHFFFAOYSA-N
XLogP4.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
3-fluoro-4-(4-hexylphenoxy)benzamide
CID 142415242
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 70876564
3-fluoro-4-[4-(1,1,2,2,2-pentafluoroethyl)phenoxy]benzamide
CID 146305959
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
butyl N-[[4-(4-carbamoyl-3-hydroxyphenoxy)-3-fluorophenyl]methyl]-N-(3-methylbutyl)carbamate
CID 70954809
3-fluoro-4-[3-(hydroxymethyl)phenoxy]benzamide
CID 79869376
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide?
The IUPAC name of 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide (CID 59729908) is 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide?
The canonical SMILES for 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide is CC(C)CCN(C)Cc1ccc(Oc2ccc(C(N)=O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide?
The InChIKey is GYTPSNSBIGOUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)10-11-23(3)13-15-4-7-17(8-5-15)25-19-9-6-16(20(22)24)12-18(19)21/h4-9,12,14H,10-11,13H2,1-3H3,(H2,22,24).
What are the key properties of 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide?
3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide has a molecular weight of 344.43 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide is sourced from PubChem (CID 59729908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).