N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C22H22ClN3O3 — CID 16594348

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C22H22ClN3O3/c1-15-17-4-2-3-5-18(17)22(28)26(15)9-8-21(27)24-19-14-16(23)6-7-20(19)25-10-12-29-13-11-25/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyNPFPYXJTBYTARQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.63
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 16594348) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID16594348
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C22H22ClN3O3/c1-15-17-4-2-3-5-18(17)22(28)26(15)9-8-21(27)24-19-14-16(23)6-7-20(19)25-10-12-29-13-11-25/h2-7,14H,1,8-13H2,(H,24,27)
InChIKeyNPFPYXJTBYTARQ-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8839205
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55494793
N-(5-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2664572
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 43033796
N-(6-chloroquinolin-8-yl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 24673492
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8794641
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26207996
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55762637
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111536320
N-(4-chloro-2-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 2990376

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 16594348) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is NPFPYXJTBYTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-15-17-4-2-3-5-18(17)22(28)26(15)9-8-21(27)24-19-14-16(23)6-7-20(19)25-10-12-29-13-11-25/h2-7,14H,1,8-13H2,(H,24,27).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 411.89 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 16594348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).