N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide

C24H20Cl2N2O3 — CID 2953562

IUPACN-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2N2O3/c25-17-6-8-19(21(26)14-17)24(30)27-18-7-9-22(28-10-12-31-13-11-28)20(15-18)23(29)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,27,30)
InChIKeyJGUKWCSUPPYLCM-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.31
Rot. Bonds5

About N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide

N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide (PubChem CID 2953562) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
PubChem CID2953562
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC NameN-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2N2O3/c25-17-6-8-19(21(26)14-17)24(30)27-18-7-9-22(28-10-12-31-13-11-28)20(15-18)23(29)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,27,30)
InChIKeyJGUKWCSUPPYLCM-UHFFFAOYSA-N
XLogP5.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,4-dichlorobenzamide
CID 3338645
2,4-dichloro-N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1343028
[5-(5-chloro-2-hydroxybenzoyl)-2-morpholin-4-ylphenyl]-phenylmethanone
CID 132537191
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-chloro-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127061
N-(3-amino-4-pyrrolidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91676429
5-[(2,4-dichlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-pyrrolidin-1-ylbenzamide
CID 5109469
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
2-(4-benzylpiperidin-1-yl)-5-[(2,4-dichlorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98420900
N-[4-(4-benzylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-2-chlorobenzamide
CID 42679896
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide (CID 2953562) is N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide is O=C(Nc1ccc(N2CCOCC2)c(C(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide?
The InChIKey is JGUKWCSUPPYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c25-17-6-8-19(21(26)14-17)24(30)27-18-7-9-22(28-10-12-31-13-11-28)20(15-18)23(29)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,27,30).
What are the key properties of N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide?
N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide has a molecular weight of 455.34 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4-morpholin-4-ylphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 2953562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).