2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide

C17H13F3N2O — CID 49408660

IUPAC2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23)
InChIKeyRHFFNEMWFVZZQY-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.56
Rot. Bonds4

About 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide

2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide (PubChem CID 49408660) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
PubChem CID49408660
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide
SMILESO=C(NCCc1c[nH]c2cc(F)ccc12)c1c(F)cccc1F
InChIInChI=1S/C17H13F3N2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23)
InChIKeyRHFFNEMWFVZZQY-UHFFFAOYSA-N
XLogP3.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-(3-bromophenyl)-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]acetamide
CID 113083740
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-(prop-2-enoylamino)benzamide
CID 167846587
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 49409514
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 49408941
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide (CID 49408660) is 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide is O=C(NCCc1c[nH]c2cc(F)ccc12)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is RHFFNEMWFVZZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-11-4-5-12-10(9-22-15(12)8-11)6-7-21-17(23)16-13(19)2-1-3-14(16)20/h1-5,8-9,22H,6-7H2,(H,21,23).
What are the key properties of 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide?
2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 318.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 49408660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).