2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

C18H16F2N2O2 — CID 124843487

IUPAC2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C18H16F2N2O2/c1-22-8-7-11-9-12(5-6-15(11)22)16(23)10-21-18(24)17-13(19)3-2-4-14(17)20/h2-9,16,23H,10H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyDUYRUNNNAFMLHL-MRXNPFEDSA-N
MW330.33 g/mol
LogP2.92
Rot. Bonds4

About 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (PubChem CID 124843487) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
PubChem CID124843487
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)c3c(F)cccc3F)ccc21
InChIInChI=1S/C18H16F2N2O2/c1-22-8-7-11-9-12(5-6-15(11)22)16(23)10-21-18(24)17-13(19)3-2-4-14(17)20/h2-9,16,23H,10H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyDUYRUNNNAFMLHL-MRXNPFEDSA-N
XLogP2.92
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 124760857
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 124727390

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (CID 124843487) is 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is Cn1ccc2cc([C@H](O)CNC(=O)c3c(F)cccc3F)ccc21.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The InChIKey is DUYRUNNNAFMLHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16F2N2O2/c1-22-8-7-11-9-12(5-6-15(11)22)16(23)10-21-18(24)17-13(19)3-2-4-14(17)20/h2-9,16,23H,10H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide has a molecular weight of 330.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is sourced from PubChem (CID 124843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).