N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide

C19H16ClN3O2 — CID 167467711

IUPACN-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CCOc3cc(Cl)cc(C#N)c3)cc12
InChIInChI=1S/C19H16ClN3O2/c1-12(24)23-19-11-22-18-3-2-13(8-17(18)19)4-5-25-16-7-14(10-21)6-15(20)9-16/h2-3,6-9,11,22H,4-5H2,1H3,(H,23,24)
InChIKeyYUKTYMXDRAEGSK-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.27
Rot. Bonds5

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

N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide (PubChem CID 167467711) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
PubChem CID167467711
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(CCOc3cc(Cl)cc(C#N)c3)cc12
InChIInChI=1S/C19H16ClN3O2/c1-12(24)23-19-11-22-18-3-2-13(8-17(18)19)4-5-25-16-7-14(10-21)6-15(20)9-16/h2-3,6-9,11,22H,4-5H2,1H3,(H,23,24)
InChIKeyYUKTYMXDRAEGSK-UHFFFAOYSA-N
XLogP4.27
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-indol-3-amine
CID 167467779
N-[5-[2-[8-(trifluoromethoxy)quinolin-3-yl]oxyethyl]-1H-indol-3-yl]acetamide
CID 167468267
trans-(1S,2S)-2-methyl-N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclopropane-1-carboxamide
CID 167467793
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
N-(6-acetamido-4-methyl-3-pyridinyl)-2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetamide
CID 67480996
2-[(1R,2R)-2-cyanocyclopropyl]-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]acetamide
CID 167467986
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 167467575
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
2-[3-[[1-[(2S)-butan-2-yl]-5-[2-(3-chloro-5-cyanophenoxy)ethyl]pyrrole-2-carbonyl]amino]-4-(trifluoromethyl)phenyl]acetic acid
CID 164549926
3-chloro-5-[[3-methyl-2-oxo-5-(2-pyridin-4-yloxyethyl)-1H-pyridin-4-yl]oxy]benzonitrile
CID 91588000
3-methyl-N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]cyclobutane-1-carboxamide
CID 167467588
N-[5-[2-[4-(trifluoromethyl)phenyl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
CID 168986829

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide (CID 167467711) is N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(CCOc3cc(Cl)cc(C#N)c3)cc12.
What is the InChIKey of N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide?
The InChIKey is YUKTYMXDRAEGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12(24)23-19-11-22-18-3-2-13(8-17(18)19)4-5-25-16-7-14(10-21)6-15(20)9-16/h2-3,6-9,11,22H,4-5H2,1H3,(H,23,24).
What are the key properties of N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide?
N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide has a molecular weight of 353.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-chloro-5-cyanophenoxy)ethyl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 167467711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).