N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide

C23H27F3N2O2 — CID 92989347

IUPACN-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C[C@H]1CN(Cc2c(F)cccc2F)CCO1)C(=O)c1ccccc1F
InChIInChI=1S/C23H27F3N2O2/c1-16(2)12-28(23(29)18-6-3-4-7-20(18)24)14-17-13-27(10-11-30-17)15-19-21(25)8-5-9-22(19)26/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyYMQQLIPVYKUWSM-QGZVFWFLSA-N
MW420.48 g/mol
LogP4.10
Rot. Bonds7

About N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide

N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (PubChem CID 92989347) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
PubChem CID92989347
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C[C@H]1CN(Cc2c(F)cccc2F)CCO1)C(=O)c1ccccc1F
InChIInChI=1S/C23H27F3N2O2/c1-16(2)12-28(23(29)18-6-3-4-7-20(18)24)14-17-13-27(10-11-30-17)15-19-21(25)8-5-9-22(19)26/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1
InChIKeyYMQQLIPVYKUWSM-QGZVFWFLSA-N
XLogP4.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[[(2R)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 92989345
2-[[(2-fluorobenzoyl)-(2-methylpropyl)amino]methyl]-N-(3-methoxyphenyl)morpholine-4-carboxamide
CID 42862009
2-fluoro-N-(furan-2-ylmethyl)-N-[[4-[(4-methylphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862078
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
N-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42862141
3-fluoro-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46060233
4-fluoro-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42849374
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-methylbutyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99732290
N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 42861582
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
2-fluoro-N-(furan-2-ylmethyl)-N-[[4-(2-hydroxy-3-methoxypropyl)morpholin-2-yl]methyl]benzamide
CID 42862218

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide (CID 92989347) is N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide is CC(C)CN(C[C@H]1CN(Cc2c(F)cccc2F)CCO1)C(=O)c1ccccc1F.
What is the InChIKey of N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
The InChIKey is YMQQLIPVYKUWSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-16(2)12-28(23(29)18-6-3-4-7-20(18)24)14-17-13-27(10-11-30-17)15-19-21(25)8-5-9-22(19)26/h3-9,16-17H,10-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide?
N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide has a molecular weight of 420.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[(2,6-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-fluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 92989347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).