N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide

C26H31ClFN3O3 — CID 140666375

IUPACN-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2ccc(F)c(Cl)c2)cc2cc(OCCCN3CCOCC3)ccc21
InChIInChI=1S/C26H31ClFN3O3/c1-18(29-19(2)32)17-31-25-7-5-22(34-11-3-8-30-9-12-33-13-10-30)14-21(25)16-26(31)20-4-6-24(28)23(27)15-20/h4-7,14-16,18H,3,8-13,17H2,1-2H3,(H,29,32)
InChIKeyXQIOCCPUZRBSQE-UHFFFAOYSA-N
MW488.00 g/mol
LogP4.73
Rot. Bonds9

About N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide

N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide (PubChem CID 140666375) has the molecular formula C26H31ClFN3O3 and a molecular weight of 488.00 g/mol. Its IUPAC name is N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
PubChem CID140666375
Molecular FormulaC26H31ClFN3O3
Molecular Weight488.00 g/mol
Exact Mass487.20
IUPAC NameN-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cn1c(-c2ccc(F)c(Cl)c2)cc2cc(OCCCN3CCOCC3)ccc21
InChIInChI=1S/C26H31ClFN3O3/c1-18(29-19(2)32)17-31-25-7-5-22(34-11-3-8-30-9-12-33-13-10-30)14-21(25)16-26(31)20-4-6-24(28)23(27)15-20/h4-7,14-16,18H,3,8-13,17H2,1-2H3,(H,29,32)
InChIKeyXQIOCCPUZRBSQE-UHFFFAOYSA-N
XLogP4.73
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.00
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide (CID 140666375) is N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide is CC(=O)NC(C)Cn1c(-c2ccc(F)c(Cl)c2)cc2cc(OCCCN3CCOCC3)ccc21.
What is the InChIKey of N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
The InChIKey is XQIOCCPUZRBSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN3O3/c1-18(29-19(2)32)17-31-25-7-5-22(34-11-3-8-30-9-12-33-13-10-30)14-21(25)16-26(31)20-4-6-24(28)23(27)15-20/h4-7,14-16,18H,3,8-13,17H2,1-2H3,(H,29,32).
What are the key properties of N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide?
N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide has a molecular weight of 488.00 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)indol-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 140666375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).