4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide

C22H24Cl2N2O2 — CID 71150812

IUPAC4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide
SMILESCCOc1cc(C(=O)NC(CC)CC)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C22H24Cl2N2O2/c1-4-15(5-2)25-22(27)13-7-8-16(21(11-13)28-6-3)20-10-14-9-17(23)18(24)12-19(14)26-20/h7-12,15,26H,4-6H2,1-3H3,(H,25,27)
InChIKeyASTNKEMGPKDFNB-UHFFFAOYSA-N
MW419.35 g/mol
LogP6.46
Rot. Bonds7

About 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide

4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide (PubChem CID 71150812) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide
PubChem CID71150812
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide
SMILESCCOc1cc(C(=O)NC(CC)CC)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C22H24Cl2N2O2/c1-4-15(5-2)25-22(27)13-7-8-16(21(11-13)28-6-3)20-10-14-9-17(23)18(24)12-19(14)26-20/h7-12,15,26H,4-6H2,1-3H3,(H,25,27)
InChIKeyASTNKEMGPKDFNB-UHFFFAOYSA-N
XLogP6.46
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2R,6S)-4-[[4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxybenzoyl]amino]-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 91166332
4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxybenzaldehyde;N,2,2,6,6-pentamethylpiperidin-4-amine
CID 143128730
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
3-amino-4-ethoxy-N-(1-hydroxybutan-2-yl)benzamide
CID 61094806
3-chloro-N-(1-chlorobutan-2-yl)-4-iodobenzamide
CID 103212326
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(1-chlorobutan-2-yl)-4-methoxybenzamide
CID 114294761
N-(1-aminobutan-2-yl)-3-chloro-4-methylbenzamide
CID 65193516
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide?
The IUPAC name of 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide (CID 71150812) is 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide is CCOc1cc(C(=O)NC(CC)CC)ccc1-c1cc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide?
The InChIKey is ASTNKEMGPKDFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-4-15(5-2)25-22(27)13-7-8-16(21(11-13)28-6-3)20-10-14-9-17(23)18(24)12-19(14)26-20/h7-12,15,26H,4-6H2,1-3H3,(H,25,27).
What are the key properties of 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide?
4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide has a molecular weight of 419.35 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-indol-2-yl)-3-ethoxy-N-pentan-3-ylbenzamide is sourced from PubChem (CID 71150812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).