2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide

C18H17FN2O2 — CID 84579411

IUPAC2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccccc2F)c2cc(O)ccc21
InChIInChI=1S/C18H17FN2O2/c1-21-11-12(15-10-13(22)6-7-17(15)21)8-9-20-18(23)14-4-2-3-5-16(14)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,23)
InChIKeyZKAMRFIOXLMPDJ-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.00
Rot. Bonds4

About 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide

2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide (PubChem CID 84579411) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
PubChem CID84579411
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
SMILESCn1cc(CCNC(=O)c2ccccc2F)c2cc(O)ccc21
InChIInChI=1S/C18H17FN2O2/c1-21-11-12(15-10-13(22)6-7-17(15)21)8-9-20-18(23)14-4-2-3-5-16(14)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,23)
InChIKeyZKAMRFIOXLMPDJ-UHFFFAOYSA-N
XLogP3.00
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84582508
5-bromo-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]furan-2-carboxamide
CID 84579865
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 46976195
N-[2-(1-methylindol-3-yl)ethyl]-2-phenylacetamide
CID 45069412
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2-chloro-N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-5-pyrazol-1-ylbenzamide
CID 46975356
2-amino-N-[2-(1-methylindol-3-yl)ethyl]acetamide
CID 82495529
2-(2-fluorophenyl)-N-[(1-methylindol-3-yl)methyl]acetamide
CID 110782275
N-[2-(5-fluoro-1-methylindol-3-yl)ethyl]-4-morpholin-4-ylbenzamide
CID 46974700
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide (CID 84579411) is 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide is Cn1cc(CCNC(=O)c2ccccc2F)c2cc(O)ccc21.
What is the InChIKey of 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
The InChIKey is ZKAMRFIOXLMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-21-11-12(15-10-13(22)6-7-17(15)21)8-9-20-18(23)14-4-2-3-5-16(14)19/h2-7,10-11,22H,8-9H2,1H3,(H,20,23).
What are the key properties of 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide?
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide has a molecular weight of 312.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide is sourced from PubChem (CID 84579411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).