N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

C23H22ClN3O4 — CID 4081388

IUPACN-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H22ClN3O4/c24-17-7-5-16(6-8-17)13-25-23(30)22(29)19-14-27(20-4-2-1-3-18(19)20)15-21(28)26-9-11-31-12-10-26/h1-8,14H,9-13,15H2,(H,25,30)
InChIKeyBHOUVFGUROKCDN-UHFFFAOYSA-N
MW439.90 g/mol
LogP2.65
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide

N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (PubChem CID 4081388) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
PubChem CID4081388
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C23H22ClN3O4/c24-17-7-5-16(6-8-17)13-25-23(30)22(29)19-14-27(20-4-2-1-3-18(19)20)15-21(28)26-9-11-31-12-10-26/h1-8,14H,9-13,15H2,(H,25,30)
InChIKeyBHOUVFGUROKCDN-UHFFFAOYSA-N
XLogP2.65
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide (CID 4081388) is N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is O=C(NCc1ccc(Cl)cc1)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
The InChIKey is BHOUVFGUROKCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c24-17-7-5-16(6-8-17)13-25-23(30)22(29)19-14-27(20-4-2-1-3-18(19)20)15-21(28)26-9-11-31-12-10-26/h1-8,14H,9-13,15H2,(H,25,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide?
N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide has a molecular weight of 439.90 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 4081388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).