N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C23H24ClN3O3 — CID 55609860

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C23H24ClN3O3/c1-16-17-6-2-3-7-18(17)23(29)27(16)15-22(28)25-14-21(26-10-12-30-13-11-26)19-8-4-5-9-20(19)24/h2-9,21H,1,10-15H2,(H,25,28)
InChIKeySPOLGUCYXIUXDS-UHFFFAOYSA-N
MW425.92 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 55609860) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID55609860
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCC(c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C23H24ClN3O3/c1-16-17-6-2-3-7-18(17)23(29)27(16)15-22(28)25-14-21(26-10-12-30-13-11-26)19-8-4-5-9-20(19)24/h2-9,21H,1,10-15H2,(H,25,28)
InChIKeySPOLGUCYXIUXDS-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119849627
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 35041740
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138995301
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 37050457
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-(4-methylphenyl)propanamide
CID 39590991
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,2-dimethylpropanamide
CID 37054001
ethyl N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]carbamate
CID 110314125
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 52985007
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-cyano-2-methylpropanamide
CID 60530251
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 37051019
N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenoxy)acetamide
CID 35041725
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 24638633

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 55609860) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCC(c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is SPOLGUCYXIUXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-16-17-6-2-3-7-18(17)23(29)27(16)15-22(28)25-14-21(26-10-12-30-13-11-26)19-8-4-5-9-20(19)24/h2-9,21H,1,10-15H2,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 425.92 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 55609860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).