N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide

C18H17ClN2O — CID 112529427

IUPACN-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c19-16-4-2-1-3-14(16)7-10-21-18(22)12-13-5-6-15-8-9-20-17(15)11-13/h1-6,8-9,11,20H,7,10,12H2,(H,21,22)
InChIKeySHUZDGUEDVHMEE-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide

N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide (PubChem CID 112529427) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
PubChem CID112529427
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)NCCc1ccccc1Cl
InChIInChI=1S/C18H17ClN2O/c19-16-4-2-1-3-14(16)7-10-21-18(22)12-13-5-6-15-8-9-20-17(15)11-13/h1-6,8-9,11,20H,7,10,12H2,(H,21,22)
InChIKeySHUZDGUEDVHMEE-UHFFFAOYSA-N
XLogP3.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1H-indol-6-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 112530271
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
2-(1H-indol-6-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 112527774
3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
2-(2-chlorophenyl)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789402
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
2-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(2-chlorophenyl)ethyl]acetamide
CID 28783444
N-[2-(1H-indol-6-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 84582546
N-[2-(1H-indol-6-yl)ethyl]prop-1-en-2-amine
CID 144853621
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
N-[2-(1H-indol-6-ylmethylamino)ethyl]-2-methylpropanamide
CID 102909292

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide (CID 112529427) is N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide is O=C(Cc1ccc2cc[nH]c2c1)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide?
The InChIKey is SHUZDGUEDVHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-16-4-2-1-3-14(16)7-10-21-18(22)12-13-5-6-15-8-9-20-17(15)11-13/h1-6,8-9,11,20H,7,10,12H2,(H,21,22).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide?
N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide has a molecular weight of 312.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-2-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 112529427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).