N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide

C18H17ClN2O — CID 2114473

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c19-15-7-5-13(6-8-15)9-10-20-18(22)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2,(H,20,22)
InChIKeyDJAUTCNOTDUQNQ-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.72
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 2114473) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID2114473
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O/c19-15-7-5-13(6-8-15)9-10-20-18(22)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2,(H,20,22)
InChIKeyDJAUTCNOTDUQNQ-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

N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 17412889
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 110671933

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide (CID 2114473) is N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DJAUTCNOTDUQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-15-7-5-13(6-8-15)9-10-20-18(22)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2,(H,20,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-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-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 2114473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).