N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide

C23H18ClFN2O — CID 24744893

IUPACN-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H18ClFN2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
InChIKeyPWPVOJQPTAGOCW-UHFFFAOYSA-N
MW392.86 g/mol
LogP5.41
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide (PubChem CID 24744893) has the molecular formula C23H18ClFN2O and a molecular weight of 392.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide
PubChem CID24744893
Molecular FormulaC23H18ClFN2O
Molecular Weight392.86 g/mol
Exact Mass392.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C23H18ClFN2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28)
InChIKeyPWPVOJQPTAGOCW-UHFFFAOYSA-N
XLogP5.41
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.86
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide (CID 24744893) is N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide?
The InChIKey is PWPVOJQPTAGOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O/c24-18-9-5-16(6-10-18)13-26-23(28)21-15-27(22-4-2-1-3-20(21)22)14-17-7-11-19(25)12-8-17/h1-12,15H,13-14H2,(H,26,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]indole-3-carboxamide is sourced from PubChem (CID 24744893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).