2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide

C28H24FN3O4 — CID 5303618

IUPAC2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C28H24FN3O4/c29-24-10-3-1-6-20(24)17-32-18-23(22-9-2-4-11-25(22)32)26(33)27(34)30-21-8-5-7-19(16-21)28(35)31-12-14-36-15-13-31/h1-11,16,18H,12-15,17H2,(H,30,34)
InChIKeyBTBHGAAXQMSASU-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.12
Rot. Bonds6

About 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide

2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide (PubChem CID 5303618) has the molecular formula C28H24FN3O4 and a molecular weight of 485.52 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
PubChem CID5303618
Molecular FormulaC28H24FN3O4
Molecular Weight485.52 g/mol
Exact Mass485.18
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C28H24FN3O4/c29-24-10-3-1-6-20(24)17-32-18-23(22-9-2-4-11-25(22)32)26(33)27(34)30-21-8-5-7-19(16-21)28(35)31-12-14-36-15-13-31/h1-11,16,18H,12-15,17H2,(H,30,34)
InChIKeyBTBHGAAXQMSASU-UHFFFAOYSA-N
XLogP4.12
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.12
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 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide (CID 5303618) is 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)c1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
The InChIKey is BTBHGAAXQMSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4/c29-24-10-3-1-6-20(24)17-32-18-23(22-9-2-4-11-25(22)32)26(33)27(34)30-21-8-5-7-19(16-21)28(35)31-12-14-36-15-13-31/h1-11,16,18H,12-15,17H2,(H,30,34).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide?
2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide has a molecular weight of 485.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indol-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 5303618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).