2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide

C23H25ClN4O3 — CID 91635156

IUPAC2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[nH]2)CC1
InChIInChI=1S/C23H25ClN4O3/c1-2-27-9-11-28(12-10-27)23(30)21-14-16-13-18(5-8-20(16)26-21)25-22(29)15-31-19-6-3-17(24)4-7-19/h3-8,13-14,26H,2,9-12,15H2,1H3,(H,25,29)
InChIKeyBBHIBEBCKKAQQY-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.62
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide

2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide (PubChem CID 91635156) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide
PubChem CID91635156
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[nH]2)CC1
InChIInChI=1S/C23H25ClN4O3/c1-2-27-9-11-28(12-10-27)23(30)21-14-16-13-18(5-8-20(16)26-21)25-22(29)15-31-19-6-3-17(24)4-7-19/h3-8,13-14,26H,2,9-12,15H2,1H3,(H,25,29)
InChIKeyBBHIBEBCKKAQQY-UHFFFAOYSA-N
XLogP3.62
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
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2-(4-chlorophenoxy)-N-[4-(cyclopentylamino)phenyl]acetamide
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2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
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CID 16826909
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
N-(4-fluorophenyl)-2-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]acetamide
CID 46445784
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-1-(4-propylpiperazin-1-yl)propan-1-one
CID 46376388
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589
2-(4-chloro-3-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3793985
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]acetamide
CID 112504917

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide (CID 91635156) is 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide is CCN1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3[nH]2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide?
The InChIKey is BBHIBEBCKKAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-2-27-9-11-28(12-10-27)23(30)21-14-16-13-18(5-8-20(16)26-21)25-22(29)15-31-19-6-3-17(24)4-7-19/h3-8,13-14,26H,2,9-12,15H2,1H3,(H,25,29).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide has a molecular weight of 440.93 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(4-ethylpiperazine-1-carbonyl)-1H-indol-5-yl]acetamide is sourced from PubChem (CID 91635156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).