N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide

C23H27F2N3O3 — CID 93338217

IUPACN-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-26(2)11-12-27(22(29)17-3-7-19(24)8-4-17)15-21-16-28(13-14-31-21)23(30)18-5-9-20(25)10-6-18/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyZTYKTEISCBIULR-OAQYLSRUSA-N
MW431.48 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide

N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide (PubChem CID 93338217) has the molecular formula C23H27F2N3O3 and a molecular weight of 431.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
PubChem CID93338217
Molecular FormulaC23H27F2N3O3
Molecular Weight431.48 g/mol
Exact Mass431.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H27F2N3O3/c1-26(2)11-12-27(22(29)17-3-7-19(24)8-4-17)15-21-16-28(13-14-31-21)23(30)18-5-9-20(25)10-6-18/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1
InChIKeyZTYKTEISCBIULR-OAQYLSRUSA-N
XLogP2.51
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
N-(2-methoxyethyl)-4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059667
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-[(4-methoxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 42862510
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 42861324
N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42861671
N-[2-(dimethylamino)ethyl]-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861666
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
4-methyl-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46059580

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide (CID 93338217) is N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide is CN(C)CCN(C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1)C(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide?
The InChIKey is ZTYKTEISCBIULR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27F2N3O3/c1-26(2)11-12-27(22(29)17-3-7-19(24)8-4-17)15-21-16-28(13-14-31-21)23(30)18-5-9-20(25)10-6-18/h3-10,21H,11-16H2,1-2H3/t21-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide has a molecular weight of 431.48 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide is sourced from PubChem (CID 93338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).