1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide

C25H22F2N2O3 — CID 50897568

IUPAC1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C25H22F2N2O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27/h3-13H,14-15H2,1-2H3,(H,28,30)
InChIKeyRMFYBVHPLLDKLH-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.91
Rot. Bonds7

About 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide (PubChem CID 50897568) has the molecular formula C25H22F2N2O3 and a molecular weight of 436.46 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide
PubChem CID50897568
Molecular FormulaC25H22F2N2O3
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC
InChIInChI=1S/C25H22F2N2O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27/h3-13H,14-15H2,1-2H3,(H,28,30)
InChIKeyRMFYBVHPLLDKLH-UHFFFAOYSA-N
XLogP4.91
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide (CID 50897568) is 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide is COc1ccc(CNC(=O)c2ccc3c(ccn3Cc3ccc(F)cc3F)c2)cc1OC.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide?
The InChIKey is RMFYBVHPLLDKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O3/c1-31-23-8-3-16(11-24(23)32-2)14-28-25(30)18-5-7-22-17(12-18)9-10-29(22)15-19-4-6-20(26)13-21(19)27/h3-13H,14-15H2,1-2H3,(H,28,30).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide has a molecular weight of 436.46 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 50897568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).