5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide

C27H23ClFN3O2 — CID 155490749

IUPAC5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C27H23ClFN3O2/c1-34-22-7-8-24-23(14-22)18(15-31-24)10-11-30-27(33)26-13-19-12-20(28)4-9-25(19)32(26)16-17-2-5-21(29)6-3-17/h2-9,12-15,31H,10-11,16H2,1H3,(H,30,33)
InChIKeyMOKOWIRMYMOJLV-UHFFFAOYSA-N
MW475.95 g/mol
LogP5.94
Rot. Bonds7

About 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide

5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide (PubChem CID 155490749) has the molecular formula C27H23ClFN3O2 and a molecular weight of 475.95 g/mol. Its IUPAC name is 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide
PubChem CID155490749
Molecular FormulaC27H23ClFN3O2
Molecular Weight475.95 g/mol
Exact Mass475.15
IUPAC Name5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)c2c1
InChIInChI=1S/C27H23ClFN3O2/c1-34-22-7-8-24-23(14-22)18(15-31-24)10-11-30-27(33)26-13-19-12-20(28)4-9-25(19)32(26)16-17-2-5-21(29)6-3-17/h2-9,12-15,31H,10-11,16H2,1H3,(H,30,33)
InChIKeyMOKOWIRMYMOJLV-UHFFFAOYSA-N
XLogP5.94
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.95
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide (CID 155490749) is 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3cc4cc(Cl)ccc4n3Cc3ccc(F)cc3)c2c1.
What is the InChIKey of 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide?
The InChIKey is MOKOWIRMYMOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFN3O2/c1-34-22-7-8-24-23(14-22)18(15-31-24)10-11-30-27(33)26-13-19-12-20(28)4-9-25(19)32(26)16-17-2-5-21(29)6-3-17/h2-9,12-15,31H,10-11,16H2,1H3,(H,30,33).
What are the key properties of 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide?
5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide has a molecular weight of 475.95 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-fluorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 155490749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).