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

C21H16F2N2OS — CID 50904170

IUPAC1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C21H16F2N2OS/c22-17-5-3-16(19(23)11-17)13-25-8-7-14-10-15(4-6-20(14)25)21(26)24-12-18-2-1-9-27-18/h1-11H,12-13H2,(H,24,26)
InChIKeyXPNILBRDAXGICK-UHFFFAOYSA-N
MW382.44 g/mol
LogP4.96
Rot. Bonds5

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

1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide (PubChem CID 50904170) has the molecular formula C21H16F2N2OS and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide
PubChem CID50904170
Molecular FormulaC21H16F2N2OS
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1
InChIInChI=1S/C21H16F2N2OS/c22-17-5-3-16(19(23)11-17)13-25-8-7-14-10-15(4-6-20(14)25)21(26)24-12-18-2-1-9-27-18/h1-11H,12-13H2,(H,24,26)
InChIKeyXPNILBRDAXGICK-UHFFFAOYSA-N
XLogP4.96
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide (CID 50904170) is 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide is O=C(NCc1cccs1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
The InChIKey is XPNILBRDAXGICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2OS/c22-17-5-3-16(19(23)11-17)13-25-8-7-14-10-15(4-6-20(14)25)21(26)24-12-18-2-1-9-27-18/h1-11H,12-13H2,(H,24,26).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)indole-5-carboxamide is sourced from PubChem (CID 50904170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).