N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C25H30ClN3O4 — CID 42861940

IUPACN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccccc2)C1
InChIInChI=1S/C25H30ClN3O4/c26-22-8-6-21(7-9-22)25(31)29-14-17-33-23(19-29)18-28(11-10-27-12-15-32-16-13-27)24(30)20-4-2-1-3-5-20/h1-9,23H,10-19H2
InChIKeyKZRXJXGNOQFPIG-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.66
Rot. Bonds7

About N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42861940) has the molecular formula C25H30ClN3O4 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42861940
Molecular FormulaC25H30ClN3O4
Molecular Weight471.99 g/mol
Exact Mass471.19
IUPAC NameN-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccccc2)C1
InChIInChI=1S/C25H30ClN3O4/c26-22-8-6-21(7-9-22)25(31)29-14-17-33-23(19-29)18-28(11-10-27-12-15-32-16-13-27)24(30)20-4-2-1-3-5-20/h1-9,23H,10-19H2
InChIKeyKZRXJXGNOQFPIG-UHFFFAOYSA-N
XLogP2.66
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42861929
3-fluoro-N-[[4-(4-fluorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42861962
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 46059905
N-[[(2R)-4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 92988291
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[(2R)-4-(2-phenoxyacetyl)morpholin-2-yl]methyl]benzamide
CID 92988261
N-[[4-(2,4-difluorobenzoyl)morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 46059920
N-(2-methoxyethyl)-N-[[4-(4-methylbenzoyl)morpholin-2-yl]methyl]benzamide
CID 46041170
N-[[(2R)-4-[(2R)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 100900073
N-[[4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42862483
N-[[4-[3-(4-chlorophenoxy)-2-hydroxypropyl]morpholin-2-yl]methyl]-4-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 42862338
N-[[4-(2-hydroxy-3-prop-2-enoxypropyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42862348

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42861940) is N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(c1ccc(Cl)cc1)N1CCOC(CN(CCN2CCOCC2)C(=O)c2ccccc2)C1.
What is the InChIKey of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is KZRXJXGNOQFPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O4/c26-22-8-6-21(7-9-22)25(31)29-14-17-33-23(19-29)18-28(11-10-27-12-15-32-16-13-27)24(30)20-4-2-1-3-5-20/h1-9,23H,10-19H2.
What are the key properties of N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 471.99 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42861940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).