2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide

C20H21ClN2O2 — CID 119044814

IUPAC2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccccc1CC(CO)NC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2/c1-13-4-2-3-5-14(13)8-17(12-24)23-20(25)9-15-11-22-19-10-16(21)6-7-18(15)19/h2-7,10-11,17,22,24H,8-9,12H2,1H3,(H,23,25)
InChIKeyQABDUVPZOBNEMK-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.39
Rot. Bonds6

About 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide

2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 119044814) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID119044814
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
SMILESCc1ccccc1CC(CO)NC(=O)Cc1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2O2/c1-13-4-2-3-5-14(13)8-17(12-24)23-20(25)9-15-11-22-19-10-16(21)6-7-18(15)19/h2-7,10-11,17,22,24H,8-9,12H2,1H3,(H,23,25)
InChIKeyQABDUVPZOBNEMK-UHFFFAOYSA-N
XLogP3.39
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
2-(2,5-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 124846044
2-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-2-(2-methylpyrazol-3-yl)acetic acid
CID 167791913
2-(6-chloro-1H-indol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113209743
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95347809
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(2-methylphenyl)butanoic acid
CID 67361266
3-[(6-chloro-1H-indol-3-yl)methylamino]-2-methylpropan-1-ol
CID 78971605
2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide (CID 119044814) is 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide is Cc1ccccc1CC(CO)NC(=O)Cc1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is QABDUVPZOBNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-4-2-3-5-14(13)8-17(12-24)23-20(25)9-15-11-22-19-10-16(21)6-7-18(15)19/h2-7,10-11,17,22,24H,8-9,12H2,1H3,(H,23,25).
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide?
2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 356.85 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119044814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).