4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide

C23H24ClN3O3 — CID 56577901

IUPAC4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide
SMILESN#CCCN(C(=O)CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C23H24ClN3O3/c24-19-9-7-18(8-10-19)21-17-26(15-16-30-21)22(28)11-12-23(29)27(14-4-13-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-12,14-17H2
InChIKeyBLLLKMADKYDUAP-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.97
Rot. Bonds7

About 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide

4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide (PubChem CID 56577901) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide
PubChem CID56577901
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide
SMILESN#CCCN(C(=O)CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C23H24ClN3O3/c24-19-9-7-18(8-10-19)21-17-26(15-16-30-21)22(28)11-12-23(29)27(14-4-13-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-12,14-17H2
InChIKeyBLLLKMADKYDUAP-UHFFFAOYSA-N
XLogP3.97
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]propan-1-one
CID 55947512
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660
N-(2-cyanoethyl)-4-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-4-oxo-N-phenylbutanamide
CID 95323109
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-[2-(4-chlorophenyl)morpholin-4-yl]-3-phenylbutan-1-one
CID 110609478
N-(2-cyanoethyl)-4-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-4-oxo-N-phenylbutanamide
CID 56515812
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
5-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]hexan-1-one
CID 82849703

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide (CID 56577901) is 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide is N#CCCN(C(=O)CCC(=O)N1CCOC(c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide?
The InChIKey is BLLLKMADKYDUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-19-9-7-18(8-10-19)21-17-26(15-16-30-21)22(28)11-12-23(29)27(14-4-13-25)20-5-2-1-3-6-20/h1-3,5-10,21H,4,11-12,14-17H2.
What are the key properties of 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide?
4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide has a molecular weight of 425.92 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 56577901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).