N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride

C21H25Cl2N3O3 — CID 3015003

IUPACN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride
SMILESCN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H
InChIKeyZAOHKACVOFGZOI-UHFFFAOYSA-N
MW438.36 g/mol
LogP3.30
Rot. Bonds6

About N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride

N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride (PubChem CID 3015003) has the molecular formula C21H25Cl2N3O3 and a molecular weight of 438.36 g/mol. Its IUPAC name is N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride
PubChem CID3015003
Molecular FormulaC21H25Cl2N3O3
Molecular Weight438.36 g/mol
Exact Mass437.13
IUPAC NameN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride
SMILESCN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1.Cl
InChIInChI=1S/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H
InChIKeyZAOHKACVOFGZOI-UHFFFAOYSA-N
XLogP3.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride?
The IUPAC name of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride (CID 3015003) is N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride is CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride?
The InChIKey is ZAOHKACVOFGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H.
What are the key properties of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride?
N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride has a molecular weight of 438.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 3015003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).