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

C18H16Cl2N2O — CID 113209520

IUPAC2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-14-3-1-2-12(8-14)6-7-21-18(23)9-13-11-22-17-5-4-15(20)10-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23)
InChIKeyOBTXTYLUXWKRRW-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.38
Rot. Bonds5

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

2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide (PubChem CID 113209520) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
PubChem CID113209520
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccc(Cl)cc12)NCCc1cccc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-14-3-1-2-12(8-14)6-7-21-18(23)9-13-11-22-17-5-4-15(20)10-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23)
InChIKeyOBTXTYLUXWKRRW-UHFFFAOYSA-N
XLogP4.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 9017658
2-(6-chloro-1H-indol-3-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113209744
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-(3-acetamidopropyl)-2-(5-chloro-1H-indol-3-yl)acetamide
CID 110630730
N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112529546
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
2-(5-chloro-1H-indol-3-yl)-N-[4-(1-methylpyrazol-4-yl)butyl]acetamide
CID 75372870
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide (CID 113209520) is 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide is O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCc1cccc(Cl)c1.
What is the InChIKey of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide?
The InChIKey is OBTXTYLUXWKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-14-3-1-2-12(8-14)6-7-21-18(23)9-13-11-22-17-5-4-15(20)10-16(13)17/h1-5,8,10-11,22H,6-7,9H2,(H,21,23).
What are the key properties of 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide?
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide has a molecular weight of 347.25 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 113209520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).