N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide

C19H18BrClN2O — CID 10740075

IUPACN-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(Cc2ccccc2Br)c2ccc(Cl)cc12
InChIInChI=1S/C19H18BrClN2O/c1-13(24)22-9-8-14-11-23(12-15-4-2-3-5-18(15)20)19-7-6-16(21)10-17(14)19/h2-7,10-11H,8-9,12H2,1H3,(H,22,24)
InChIKeyWLKSIMRKBBEWRH-UHFFFAOYSA-N
MW405.72 g/mol
LogP4.78
Rot. Bonds5

About N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide

N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide (PubChem CID 10740075) has the molecular formula C19H18BrClN2O and a molecular weight of 405.72 g/mol. Its IUPAC name is N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
PubChem CID10740075
Molecular FormulaC19H18BrClN2O
Molecular Weight405.72 g/mol
Exact Mass404.03
IUPAC NameN-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(Cc2ccccc2Br)c2ccc(Cl)cc12
InChIInChI=1S/C19H18BrClN2O/c1-13(24)22-9-8-14-11-23(12-15-4-2-3-5-18(15)20)19-7-6-16(21)10-17(14)19/h2-7,10-11H,8-9,12H2,1H3,(H,22,24)
InChIKeyWLKSIMRKBBEWRH-UHFFFAOYSA-N
XLogP4.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.72
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(2-acetamidoethyl)indol-1-yl]methyl]-N-hydroxybenzamide
CID 176898102
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
N-[2-[1-(hydroxymethyl)indol-3-yl]ethyl]acetamide
CID 102296524
1-[2-(2-bromophenyl)ethyl]-3-(4-chloro-2-methylphenyl)urea
CID 108900542
N-[(2-bromophenyl)methyl]acetamide
CID 2824953
N-[2-(5-chloro-2-sulfamoylphenyl)ethyl]acetamide
CID 118162125
N-[2-(5-chloro-1-methylindol-3-yl)ethyl]-2-pyridin-2-yloxyacetamide
CID 46971540
[2-[(2-bromophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 50929762
methyl N-[2-(1-benzylindol-3-yl)ethyl]carbamate
CID 135031870
1-[2-(2-bromophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 108868699
4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxybut-3-en-2-one
CID 74062179
[2-(2-acetamidoethyl)phenyl]-(4-chlorophenyl)iodanium
CID 62707379

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide (CID 10740075) is N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide is CC(=O)NCCc1cn(Cc2ccccc2Br)c2ccc(Cl)cc12.
What is the InChIKey of N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide?
The InChIKey is WLKSIMRKBBEWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O/c1-13(24)22-9-8-14-11-23(12-15-4-2-3-5-18(15)20)19-7-6-16(21)10-17(14)19/h2-7,10-11H,8-9,12H2,1H3,(H,22,24).
What are the key properties of N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide?
N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide has a molecular weight of 405.72 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-bromophenyl)methyl]-5-chloroindol-3-yl]ethyl]acetamide is sourced from PubChem (CID 10740075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).