3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide

C19H19FN2O3 — CID 86264357

IUPAC3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C19H19FN2O3/c1-22-11-14(13-5-3-4-6-16(13)22)17(23)10-21-19(24)12-7-8-18(25-2)15(20)9-12/h3-9,11,17,23H,10H2,1-2H3,(H,21,24)
InChIKeyYQHHWASPXHEWDN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.79
Rot. Bonds5

About 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide

3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide (PubChem CID 86264357) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
PubChem CID86264357
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F
InChIInChI=1S/C19H19FN2O3/c1-22-11-14(13-5-3-4-6-16(13)22)17(23)10-21-19(24)12-7-8-18(25-2)15(20)9-12/h3-9,11,17,23H,10H2,1-2H3,(H,21,24)
InChIKeyYQHHWASPXHEWDN-UHFFFAOYSA-N
XLogP2.79
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 90535108
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]naphthalene-2-carboxamide
CID 90535044
N-[(2S)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,3,4-trimethoxybenzamide
CID 97414057
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 71788660
N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 71788669
4-(dimethylamino)-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 90535031
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-fluoro-4-methoxybenzamide
CID 99903135
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
2-bromo-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]benzamide
CID 71788673
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide (CID 86264357) is 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(O)c2cn(C)c3ccccc23)cc1F.
What is the InChIKey of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide?
The InChIKey is YQHHWASPXHEWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-11-14(13-5-3-4-6-16(13)22)17(23)10-21-19(24)12-7-8-18(25-2)15(20)9-12/h3-9,11,17,23H,10H2,1-2H3,(H,21,24).
What are the key properties of 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide?
3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide has a molecular weight of 342.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 86264357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).