5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide

C18H17FN2O3 — CID 111115526

IUPAC5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H17FN2O3/c1-24-14-4-2-3-11(8-14)17(22)10-20-18(23)16-9-12-7-13(19)5-6-15(12)21-16/h2-9,17,21-22H,10H2,1H3,(H,20,23)
InChIKeyMRGYBIOELZTIBI-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.78
Rot. Bonds5

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

5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 111115526) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID111115526
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)c2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C18H17FN2O3/c1-24-14-4-2-3-11(8-14)17(22)10-20-18(23)16-9-12-7-13(19)5-6-15(12)21-16/h2-9,17,21-22H,10H2,1H3,(H,20,23)
InChIKeyMRGYBIOELZTIBI-UHFFFAOYSA-N
XLogP2.78
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-indole-2-carboxamide
CID 39982579
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99903134
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207269
3-(4-bromophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 86937596
4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 111696533
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
2-[[(5-fluoro-1H-indole-2-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119253265
6-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 111115461
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 111115526) is 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1cccc(C(O)CNC(=O)c2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is MRGYBIOELZTIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-24-14-4-2-3-11(8-14)17(22)10-20-18(23)16-9-12-7-13(19)5-6-15(12)21-16/h2-9,17,21-22H,10H2,1H3,(H,20,23).
What are the key properties of 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide?
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 111115526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).