N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide

C18H17BrN2O2 — CID 167764059

IUPACN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc(CO)c1
InChIInChI=1S/C18H17BrN2O2/c19-15-4-5-17-16(9-15)14(10-21-17)6-7-20-18(23)13-3-1-2-12(8-13)11-22/h1-5,8-10,21-22H,6-7,11H2,(H,20,23)
InChIKeyFWQBMARISIKOOP-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.40
Rot. Bonds5

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

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide (PubChem CID 167764059) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
PubChem CID167764059
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc(CO)c1
InChIInChI=1S/C18H17BrN2O2/c19-15-4-5-17-16(9-15)14(10-21-17)6-7-20-18(23)13-3-1-2-12(8-13)11-22/h1-5,8-10,21-22H,6-7,11H2,(H,20,23)
InChIKeyFWQBMARISIKOOP-UHFFFAOYSA-N
XLogP3.40
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.40
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
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(3-fluorophenyl)methyl]benzamide
CID 67974203
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-fluorophenyl)methyl]benzamide
CID 86699424
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(furan-2-ylmethyl)benzamide
CID 86699433
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-[(2-cyanophenyl)methyl]benzamide
CID 67974504
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-chloro-2-hydroxybenzamide
CID 155518400

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide?
The IUPAC name of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide (CID 167764059) is N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide.
What is the SMILES notation for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide?
The canonical SMILES for N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide is O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc(CO)c1.
What is the InChIKey of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide?
The InChIKey is FWQBMARISIKOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-15-4-5-17-16(9-15)14(10-21-17)6-7-20-18(23)13-3-1-2-12(8-13)11-22/h1-5,8-10,21-22H,6-7,11H2,(H,20,23).
What are the key properties of N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide?
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)benzamide has a molecular weight of 373.25 g/mol, XLogP of 3.40, 5 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]-3-(hydroxymethyl)benzamide is sourced from PubChem (CID 167764059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).