4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide

C28H27FN2O2 — CID 26339767

IUPAC4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
SMILESCN(Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H27FN2O2/c1-31(20-24-7-4-6-22-5-2-3-8-27(22)24)19-21-9-15-26(16-10-21)33-18-17-30-28(32)23-11-13-25(29)14-12-23/h2-16H,17-20H2,1H3,(H,30,32)
InChIKeyVTKKJVXTVYOQHX-UHFFFAOYSA-N
MW442.53 g/mol
LogP5.42
Rot. Bonds9

About 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide

4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide (PubChem CID 26339767) has the molecular formula C28H27FN2O2 and a molecular weight of 442.53 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
PubChem CID26339767
Molecular FormulaC28H27FN2O2
Molecular Weight442.53 g/mol
Exact Mass442.21
IUPAC Name4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
SMILESCN(Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1)Cc1cccc2ccccc12
InChIInChI=1S/C28H27FN2O2/c1-31(20-24-7-4-6-22-5-2-3-8-27(22)24)19-21-9-15-26(16-10-21)33-18-17-30-28(32)23-11-13-25(29)14-12-23/h2-16H,17-20H2,1H3,(H,30,32)
InChIKeyVTKKJVXTVYOQHX-UHFFFAOYSA-N
XLogP5.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.53
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide
CID 42213619
(2R)-1-methyl-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]piperidine-2-carboxamide
CID 125178920
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[3-(4-fluorophenoxy)propyl]-4-(methoxymethyl)benzamide
CID 60601538
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
3,4-difluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30349624
(2S)-N-[2-(4-ethylphenoxy)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 100509329
2-[[4-[[4-fluoro-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 53492221
N-[2-(2-fluorophenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 3107151
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide (CID 26339767) is 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide is CN(Cc1ccc(OCCNC(=O)c2ccc(F)cc2)cc1)Cc1cccc2ccccc12.
What is the InChIKey of 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
The InChIKey is VTKKJVXTVYOQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O2/c1-31(20-24-7-4-6-22-5-2-3-8-27(22)24)19-21-9-15-26(16-10-21)33-18-17-30-28(32)23-11-13-25(29)14-12-23/h2-16H,17-20H2,1H3,(H,30,32).
What are the key properties of 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide?
4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide has a molecular weight of 442.53 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]ethyl]benzamide is sourced from PubChem (CID 26339767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).