5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide

C18H17FN2O2 — CID 110614865

IUPAC5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCCc1ccccc1O
InChIInChI=1S/C18H17FN2O2/c1-11-17(14-10-13(19)6-7-15(14)21-11)18(23)20-9-8-12-4-2-3-5-16(12)22/h2-7,10,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyJAUXKHGXMUNAOY-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.29
Rot. Bonds4

About 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide

5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 110614865) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID110614865
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)NCCc1ccccc1O
InChIInChI=1S/C18H17FN2O2/c1-11-17(14-10-13(19)6-7-15(14)21-11)18(23)20-9-8-12-4-2-3-5-16(12)22/h2-7,10,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyJAUXKHGXMUNAOY-UHFFFAOYSA-N
XLogP3.29
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-methyl-N-[2-(phenylsulfamoyl)ethyl]-1H-indole-3-carboxamide
CID 110606781
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500
N-[2-(cyclopropylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625091
6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
CID 110849220
N-butyl-6-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110848225
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
2,5-dimethyl-N-propyl-1H-indole-3-carboxamide
CID 65335283
N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110625213
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
3-[(2,5-dimethyl-1H-indole-3-carbonyl)amino]propanoic acid
CID 110835922

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide (CID 110614865) is 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)NCCc1ccccc1O.
What is the InChIKey of 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is JAUXKHGXMUNAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-11-17(14-10-13(19)6-7-15(14)21-11)18(23)20-9-8-12-4-2-3-5-16(12)22/h2-7,10,21-22H,8-9H2,1H3,(H,20,23).
What are the key properties of 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide?
5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(2-hydroxyphenyl)ethyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110614865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).