4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide

C23H28ClN3O4 — CID 3533015

IUPAC4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H28ClN3O4/c1-26(23(29)18-3-5-19(24)6-4-18)20-7-9-21(10-8-20)31-17-22(28)25-11-2-12-27-13-15-30-16-14-27/h3-10H,2,11-17H2,1H3,(H,25,28)
InChIKeyCIHBIMKTFINKDX-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.83
Rot. Bonds9

About 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide

4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 3533015) has the molecular formula C23H28ClN3O4 and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
PubChem CID3533015
Molecular FormulaC23H28ClN3O4
Molecular Weight445.95 g/mol
Exact Mass445.18
IUPAC Name4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C23H28ClN3O4/c1-26(23(29)18-3-5-19(24)6-4-18)20-7-9-21(10-8-20)31-17-22(28)25-11-2-12-27-13-15-30-16-14-27/h3-10H,2,11-17H2,1H3,(H,25,28)
InChIKeyCIHBIMKTFINKDX-UHFFFAOYSA-N
XLogP2.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 92649125
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735
2-[5-[[2-(4-chlorophenoxy)acetyl]amino]-6-methyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 110171556
N-(3-morpholin-4-ylpropyl)-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45372530
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-morpholin-4-ylethyl)acetamide
CID 17247264
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
CID 75454377
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide (CID 3533015) is 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(OCC(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is CIHBIMKTFINKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O4/c1-26(23(29)18-3-5-19(24)6-4-18)20-7-9-21(10-8-20)31-17-22(28)25-11-2-12-27-13-15-30-16-14-27/h3-10H,2,11-17H2,1H3,(H,25,28).
What are the key properties of 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide?
4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 3533015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).