4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide

C23H29FN2O3 — CID 46041263

IUPAC4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESCOCCN(CC1CN(Cc2ccc(C)cc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-18-3-5-19(6-4-18)15-25-11-14-29-22(16-25)17-26(12-13-28-2)23(27)20-7-9-21(24)10-8-20/h3-10,22H,11-17H2,1-2H3
InChIKeyGWOCOWLAYLEYFZ-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.12
Rot. Bonds8

About 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide

4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide (PubChem CID 46041263) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
PubChem CID46041263
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
SMILESCOCCN(CC1CN(Cc2ccc(C)cc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H29FN2O3/c1-18-3-5-19(6-4-18)15-25-11-14-29-22(16-25)17-26(12-13-28-2)23(27)20-7-9-21(24)10-8-20/h3-10,22H,11-17H2,1-2H3
InChIKeyGWOCOWLAYLEYFZ-UHFFFAOYSA-N
XLogP3.12
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
N-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862046
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-[[4-(2-methoxybenzoyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 42861605
N-[[(2S)-4-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92989538
4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731766
N-[[4-(furan-2-ylmethyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42862045
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide (CID 46041263) is 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide is COCCN(CC1CN(Cc2ccc(C)cc2)CCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
The InChIKey is GWOCOWLAYLEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-18-3-5-19(6-4-18)15-25-11-14-29-22(16-25)17-26(12-13-28-2)23(27)20-7-9-21(24)10-8-20/h3-10,22H,11-17H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide?
4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide has a molecular weight of 400.49 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxyethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 46041263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).