3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide

C20H25FN2O2 — CID 70876564

IUPAC3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
SMILESCNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)c(F)c1
InChIInChI=1S/C20H25FN2O2/c1-14(2)10-11-23-13-15-4-7-17(8-5-15)25-19-9-6-16(12-18(19)21)20(24)22-3/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYXQCGADDKKRWRO-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.11
Rot. Bonds8

About 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide

3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide (PubChem CID 70876564) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
PubChem CID70876564
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Name3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
SMILESCNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)c(F)c1
InChIInChI=1S/C20H25FN2O2/c1-14(2)10-11-23-13-15-4-7-17(8-5-15)25-19-9-6-16(12-18(19)21)20(24)22-3/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,24)
InChIKeyYXQCGADDKKRWRO-UHFFFAOYSA-N
XLogP4.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 59730177
3-fluoro-4-[4-[[methyl(3-methylbutyl)amino]methyl]phenoxy]benzamide
CID 59729908
4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
CID 146325605
N-ethyl-6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 59729960
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
[2-fluoro-4-(methylcarbamoyl)phenyl] acetate
CID 165120813
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide?
The IUPAC name of 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide (CID 70876564) is 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide?
The canonical SMILES for 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide is CNC(=O)c1ccc(Oc2ccc(CNCCC(C)C)cc2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide?
The InChIKey is YXQCGADDKKRWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14(2)10-11-23-13-15-4-7-17(8-5-15)25-19-9-6-16(12-18(19)21)20(24)22-3/h4-9,12,14,23H,10-11,13H2,1-3H3,(H,22,24).
What are the key properties of 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide?
3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide has a molecular weight of 344.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide is sourced from PubChem (CID 70876564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).