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

C21H24ClN3O3 — CID 3407

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IUPACN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide
SMILESCN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24ClN3O3/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)
InChIKeyKSNNEUZOAFRTDS-UHFFFAOYSA-N
MW401.89 g/mol
LogP2.88
Rot. Bonds6

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

N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide (PubChem CID 3407) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide
PubChem CID3407
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC NameN-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide
SMILESCN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1
InChIInChI=1S/C21H24ClN3O3/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)
InChIKeyKSNNEUZOAFRTDS-UHFFFAOYSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
CID 217304
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
1,4-Benzodiazepine-2,5-dione scaffold, 21
CID 9917797
1,4-Benzodiazepine-2,5-dione scaffold, 22
CID 11952782
7-chloro-N-cyclohexyl-1-(2-morpholinoethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 16086891
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
2-(2-chlorophenyl)-N-(3-methylphenyl)-2-morpholin-4-ylacetamide
CID 3108210
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
4-chloro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 471639

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide?
The IUPAC name of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide (CID 3407) is N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide is CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide?
The InChIKey is KSNNEUZOAFRTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/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).
What are the key properties of N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide?
N-[3-chloro-2-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]phenyl]benzamide has a molecular weight of 401.89 g/mol, XLogP of 2.88, 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 is sourced from PubChem (CID 3407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).