N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide

C17H14BrClN2O2 — CID 155518400

IUPACN-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cl)ccc1O
InChIInChI=1S/C17H14BrClN2O2/c18-11-1-3-15-13(7-11)10(9-21-15)5-6-20-17(23)14-8-12(19)2-4-16(14)22/h1-4,7-9,21-22H,5-6H2,(H,20,23)
InChIKeyPLKQVWNVUYJEFZ-UHFFFAOYSA-N
MW393.67 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide (PubChem CID 155518400) has the molecular formula C17H14BrClN2O2 and a molecular weight of 393.67 g/mol. Its IUPAC name is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
PubChem CID155518400
Molecular FormulaC17H14BrClN2O2
Molecular Weight393.67 g/mol
Exact Mass391.99
IUPAC NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cl)ccc1O
InChIInChI=1S/C17H14BrClN2O2/c18-11-1-3-15-13(7-11)10(9-21-15)5-6-20-17(23)14-8-12(19)2-4-16(14)22/h1-4,7-9,21-22H,5-6H2,(H,20,23)
InChIKeyPLKQVWNVUYJEFZ-UHFFFAOYSA-N
XLogP4.26
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3,4-dichlorobenzamide
CID 155563944
5-chloro-2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 2988910
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-chloro-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 141441300
5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 166231909
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
CID 167764059
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
2-(6-bromo-1H-indol-3-yl)-N-[2-(6-bromo-1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 118899491
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide?
The IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide (CID 155518400) is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide is O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cl)ccc1O.
What is the InChIKey of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide?
The InChIKey is PLKQVWNVUYJEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClN2O2/c18-11-1-3-15-13(7-11)10(9-21-15)5-6-20-17(23)14-8-12(19)2-4-16(14)22/h1-4,7-9,21-22H,5-6H2,(H,20,23).
What are the key properties of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide?
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide has a molecular weight of 393.67 g/mol, XLogP of 4.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide is sourced from PubChem (CID 155518400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).