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

C28H31ClN2O2 — CID 24629047

IUPACN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C28H31ClN2O2/c29-24-7-3-1-5-20(24)22(23-15-30-25-8-4-2-6-21(23)25)16-31-26(32)14-27-10-18-9-19(11-27)13-28(33,12-18)17-27/h1-8,15,18-19,22,30,33H,9-14,16-17H2,(H,31,32)
InChIKeyILVMLZKIUMFGMQ-UHFFFAOYSA-N
MW463.02 g/mol
LogP5.79
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide (PubChem CID 24629047) has the molecular formula C28H31ClN2O2 and a molecular weight of 463.02 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide
PubChem CID24629047
Molecular FormulaC28H31ClN2O2
Molecular Weight463.02 g/mol
Exact Mass462.21
IUPAC NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide
SMILESO=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C28H31ClN2O2/c29-24-7-3-1-5-20(24)22(23-15-30-25-8-4-2-6-21(23)25)16-31-26(32)14-27-10-18-9-19(11-27)13-28(33,12-18)17-27/h1-8,15,18-19,22,30,33H,9-14,16-17H2,(H,31,32)
InChIKeyILVMLZKIUMFGMQ-UHFFFAOYSA-N
XLogP5.79
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.02
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 24599851
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9425337
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
2-chloro-N-[(1S)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 2410230
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 78802980
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide (CID 24629047) is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide is O=C(CC12CC3CC(CC(O)(C3)C1)C2)NCC(c1ccccc1Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
The InChIKey is ILVMLZKIUMFGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN2O2/c29-24-7-3-1-5-20(24)22(23-15-30-25-8-4-2-6-21(23)25)16-31-26(32)14-27-10-18-9-19(11-27)13-28(33,12-18)17-27/h1-8,15,18-19,22,30,33H,9-14,16-17H2,(H,31,32).
What are the key properties of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide?
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide has a molecular weight of 463.02 g/mol, XLogP of 5.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide is sourced from PubChem (CID 24629047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).