2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide

C17H14F2N2O — CID 2340728

IUPAC2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O/c18-12-5-6-14(15(19)9-12)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyCLSKFSJIPBEKKH-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.42
Rot. Bonds4

About 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide

2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 2340728) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID2340728
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1F
InChIInChI=1S/C17H14F2N2O/c18-12-5-6-14(15(19)9-12)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22)
InChIKeyCLSKFSJIPBEKKH-UHFFFAOYSA-N
XLogP3.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 2340728) is 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is CLSKFSJIPBEKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-12-5-6-14(15(19)9-12)17(22)20-8-7-11-10-21-16-4-2-1-3-13(11)16/h1-6,9-10,21H,7-8H2,(H,20,22).
What are the key properties of 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 300.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 2340728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).