N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

C19H19ClN2O3 — CID 134030385

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13-2-4-14(5-3-13)18(23)19(24)21-16-12-15(20)6-7-17(16)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyNNCCPXBGMGUEIK-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.31
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 134030385) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID134030385
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O3/c1-13-2-4-14(5-3-13)18(23)19(24)21-16-12-15(20)6-7-17(16)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyNNCCPXBGMGUEIK-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl] (R)-4-methylbenzenesulfinate
CID 11875082
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-iodobenzamide
CID 38910526
4,5-dichloro-N-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrrole-2-carboxamide
CID 55666325
N-[(5-chloro-2-morpholin-4-ylphenyl)carbamothioyl]-2-methylpropanamide
CID 3961026
N-(5-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-3-methylbenzamide
CID 112809703
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 134030385) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is NNCCPXBGMGUEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-2-4-14(5-3-13)18(23)19(24)21-16-12-15(20)6-7-17(16)22-8-10-25-11-9-22/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 358.83 g/mol, XLogP of 3.31, 4 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)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 134030385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).