5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide

C26H23ClFN3O3 — CID 83284031

IUPAC5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C26H23ClFN3O3/c1-34-13-12-29-26(33)24-15-18-14-20(30-25(32)21-4-2-3-5-22(21)27)10-11-23(18)31(24)16-17-6-8-19(28)9-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,29,33)(H,30,32)
InChIKeySNKHJJUHRHSJAL-UHFFFAOYSA-N
MW479.94 g/mol
LogP5.11
Rot. Bonds8

About 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide

5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 83284031) has the molecular formula C26H23ClFN3O3 and a molecular weight of 479.94 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
PubChem CID83284031
Molecular FormulaC26H23ClFN3O3
Molecular Weight479.94 g/mol
Exact Mass479.14
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C26H23ClFN3O3/c1-34-13-12-29-26(33)24-15-18-14-20(30-25(32)21-4-2-3-5-22(21)27)10-11-23(18)31(24)16-17-6-8-19(28)9-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,29,33)(H,30,32)
InChIKeySNKHJJUHRHSJAL-UHFFFAOYSA-N
XLogP5.11
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.94
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide (CID 83284031) is 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide is COCCNC(=O)c1cc2cc(NC(=O)c3ccccc3Cl)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is SNKHJJUHRHSJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O3/c1-34-13-12-29-26(33)24-15-18-14-20(30-25(32)21-4-2-3-5-22(21)27)10-11-23(18)31(24)16-17-6-8-19(28)9-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,29,33)(H,30,32).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide has a molecular weight of 479.94 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 83284031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).