2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

C17H15FN2O2 — CID 111393023

IUPAC2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)Nc1cccc(CO)c1
InChIInChI=1S/C17H15FN2O2/c18-13-4-5-16-15(8-13)12(9-19-16)7-17(22)20-14-3-1-2-11(6-14)10-21/h1-6,8-9,19,21H,7,10H2,(H,20,22)
InChIKeyCNTWCHCSOPFYCC-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.98
Rot. Bonds4

About 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide

2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (PubChem CID 111393023) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
PubChem CID111393023
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(F)cc12)Nc1cccc(CO)c1
InChIInChI=1S/C17H15FN2O2/c18-13-4-5-16-15(8-13)12(9-19-16)7-17(22)20-14-3-1-2-11(6-14)10-21/h1-6,8-9,19,21H,7,10H2,(H,20,22)
InChIKeyCNTWCHCSOPFYCC-UHFFFAOYSA-N
XLogP2.98
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296
N-(3-acetylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861017
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209477

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide (CID 111393023) is 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide is O=C(Cc1c[nH]c2ccc(F)cc12)Nc1cccc(CO)c1.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
The InChIKey is CNTWCHCSOPFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c18-13-4-5-16-15(8-13)12(9-19-16)7-17(22)20-14-3-1-2-11(6-14)10-21/h1-6,8-9,19,21H,7,10H2,(H,20,22).
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide?
2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 111393023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).