N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

C23H26Cl2FN3O3 — CID 42861671

IUPACN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCN(CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccccc1F
InChIInChI=1S/C23H26Cl2FN3O3/c1-27(2)9-10-28(23(31)18-5-3-4-6-21(18)26)14-17-15-29(11-12-32-17)22(30)16-7-8-19(24)20(25)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyPEMCYZOFPYYILZ-UHFFFAOYSA-N
MW482.38 g/mol
LogP3.68
Rot. Bonds7

About N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide

N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (PubChem CID 42861671) has the molecular formula C23H26Cl2FN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
PubChem CID42861671
Molecular FormulaC23H26Cl2FN3O3
Molecular Weight482.38 g/mol
Exact Mass481.13
IUPAC NameN-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
SMILESCN(C)CCN(CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccccc1F
InChIInChI=1S/C23H26Cl2FN3O3/c1-27(2)9-10-28(23(31)18-5-3-4-6-21(18)26)14-17-15-29(11-12-32-17)22(30)16-7-8-19(24)20(25)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3
InChIKeyPEMCYZOFPYYILZ-UHFFFAOYSA-N
XLogP3.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 93338217
N-[2-(dimethylamino)ethyl]-4-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]benzamide
CID 46059702
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
N-[[4-(2-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 42861566
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
N-[2-(dimethylamino)ethyl]-N-[[4-(2-methoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 42861666
1-(4-chlorophenyl)-3-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]urea
CID 10114305
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861940
N-(cyclopropylmethyl)-N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-2-methoxybenzamide
CID 42861726
2-fluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710492
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(2-fluorophenyl)methanone
CID 124954150

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide (CID 42861671) is N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is CN(C)CCN(CC1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1)C(=O)c1ccccc1F.
What is the InChIKey of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
The InChIKey is PEMCYZOFPYYILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2FN3O3/c1-27(2)9-10-28(23(31)18-5-3-4-6-21(18)26)14-17-15-29(11-12-32-17)22(30)16-7-8-19(24)20(25)13-16/h3-8,13,17H,9-12,14-15H2,1-2H3.
What are the key properties of N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide?
N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide has a molecular weight of 482.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dichlorobenzoyl)morpholin-2-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 42861671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).