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

C25H22F2N2O — CID 50904178

IUPAC1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1
InChIInChI=1S/C25H22F2N2O/c1-2-23(17-6-4-3-5-7-17)28-25(30)19-9-11-24-18(14-19)12-13-29(24)16-20-8-10-21(26)15-22(20)27/h3-15,23H,2,16H2,1H3,(H,28,30)
InChIKeyDXAXGTUMUWQTQY-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.85
Rot. Bonds6

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

1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide (PubChem CID 50904178) has the molecular formula C25H22F2N2O and a molecular weight of 404.46 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide
PubChem CID50904178
Molecular FormulaC25H22F2N2O
Molecular Weight404.46 g/mol
Exact Mass404.17
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide
SMILESCCC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1
InChIInChI=1S/C25H22F2N2O/c1-2-23(17-6-4-3-5-7-17)28-25(30)19-9-11-24-18(14-19)12-13-29(24)16-20-8-10-21(26)15-22(20)27/h3-15,23H,2,16H2,1H3,(H,28,30)
InChIKeyDXAXGTUMUWQTQY-UHFFFAOYSA-N
XLogP5.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
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CID 91623361
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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide (CID 50904178) is 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide is CCC(NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccccc1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide?
The InChIKey is DXAXGTUMUWQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O/c1-2-23(17-6-4-3-5-7-17)28-25(30)19-9-11-24-18(14-19)12-13-29(24)16-20-8-10-21(26)15-22(20)27/h3-15,23H,2,16H2,1H3,(H,28,30).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-(1-phenylpropyl)indole-5-carboxamide is sourced from PubChem (CID 50904178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).