2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide

C18H17ClN2O2 — CID 10544294

IUPAC2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2c(O)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-14(9-17(20)23)18-15(6-3-7-16(18)22)21(11)10-12-4-2-5-13(19)8-12/h2-8,22H,9-10H2,1H3,(H2,20,23)
InChIKeyOZGWXJSADORKBC-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.38
Rot. Bonds4

About 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide

2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide (PubChem CID 10544294) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide
PubChem CID10544294
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide
SMILESCc1c(CC(N)=O)c2c(O)cccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-14(9-17(20)23)18-15(6-3-7-16(18)22)21(11)10-12-4-2-5-13(19)8-12/h2-8,22H,9-10H2,1H3,(H2,20,23)
InChIKeyOZGWXJSADORKBC-UHFFFAOYSA-N
XLogP3.38
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-[3-(2-amino-2-oxoethyl)-1-[(3-chlorophenyl)methyl]-2-methylindol-4-yl]-2-oxoacetate
CID 67727271
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
2-[1-[(3-chlorophenyl)methyl]-5-ethoxycarbonyl-2-methylindol-3-yl]acetic acid
CID 23368758
2-[6-chloro-1-[(3-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 58957239
5-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-6-yl]pentanoic acid
CID 67727165
1-benzyl-3-ethenyl-2-methylindol-4-ol
CID 174463230
2-(1-benzyl-6-chloro-5-hydroxy-2-methylindol-3-yl)acetic acid;ethane
CID 91341000
9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
1-[(3-chlorophenyl)methyl]-4-[[(4-chlorophenyl)methylamino]methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 20957688
[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-4-yl] acetate
CID 67727148
2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-4-yl]oxyacetic acid;2-[1-benzyl-4-[2-(methanesulfonamido)-2-oxoethoxy]-2-methylindol-3-yl]-2-oxoacetamide
CID 158711079

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide (CID 10544294) is 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide is Cc1c(CC(N)=O)c2c(O)cccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide?
The InChIKey is OZGWXJSADORKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-14(9-17(20)23)18-15(6-3-7-16(18)22)21(11)10-12-4-2-5-13(19)8-12/h2-8,22H,9-10H2,1H3,(H2,20,23).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide?
2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide is sourced from PubChem (CID 10544294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).