5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

C18H16BrClN2O2 — CID 121179831

IUPAC5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCn1ccc2cc(C(O)CNC(=O)c3cc(Br)ccc3Cl)ccc21
InChIInChI=1S/C18H16BrClN2O2/c1-22-7-6-11-8-12(2-5-16(11)22)17(23)10-21-18(24)14-9-13(19)3-4-15(14)20/h2-9,17,23H,10H2,1H3,(H,21,24)
InChIKeyYMWPCYOQJOLPPP-UHFFFAOYSA-N
MW407.70 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide

5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (PubChem CID 121179831) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
PubChem CID121179831
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
SMILESCn1ccc2cc(C(O)CNC(=O)c3cc(Br)ccc3Cl)ccc21
InChIInChI=1S/C18H16BrClN2O2/c1-22-7-6-11-8-12(2-5-16(11)22)17(23)10-21-18(24)14-9-13(19)3-4-15(14)20/h2-9,17,23H,10H2,1H3,(H,21,24)
InChIKeyYMWPCYOQJOLPPP-UHFFFAOYSA-N
XLogP4.06
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2-iodobenzamide
CID 121179834
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
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
3-(2-bromophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]propanamide
CID 121179845
N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-3-methoxybenzamide
CID 121179738
1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 124725327
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide (CID 121179831) is 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is Cn1ccc2cc(C(O)CNC(=O)c3cc(Br)ccc3Cl)ccc21.
What is the InChIKey of 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
The InChIKey is YMWPCYOQJOLPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O2/c1-22-7-6-11-8-12(2-5-16(11)22)17(23)10-21-18(24)14-9-13(19)3-4-15(14)20/h2-9,17,23H,10H2,1H3,(H,21,24).
What are the key properties of 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide?
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide has a molecular weight of 407.70 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide is sourced from PubChem (CID 121179831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).