6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide

C17H14Cl2N2O2 — CID 3790292

IUPAC6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2cc(O)c(Cl)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-9-16(17(20)23)12-6-15(22)13(19)7-14(12)21(9)8-10-3-2-4-11(18)5-10/h2-7,22H,8H2,1H3,(H2,20,23)
InChIKeyJQSBRHJAPDGTDP-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.11
Rot. Bonds3

About 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide

6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide (PubChem CID 3790292) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
PubChem CID3790292
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2cc(O)c(Cl)cc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C17H14Cl2N2O2/c1-9-16(17(20)23)12-6-15(22)13(19)7-14(12)21(9)8-10-3-2-4-11(18)5-10/h2-7,22H,8H2,1H3,(H2,20,23)
InChIKeyJQSBRHJAPDGTDP-UHFFFAOYSA-N
XLogP4.11
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
CID 3852732
1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
CID 3843286
2-[1-[(3-chlorophenyl)methyl]-4-hydroxy-2-methylindol-3-yl]acetamide
CID 10544294
2-(1-benzyl-6-chloro-5-hydroxy-2-methylindol-3-yl)acetic acid;ethane
CID 91341000
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
2-[6-chloro-1-[(3-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 58957239
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
methyl 3-[4-carbamoyl-3-(2-chlorophenyl)-1-[(3-chlorophenyl)methyl]-5-methylpyrrol-2-yl]propanoate
CID 3803967
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-quinolin-2-ylpyrrole-3-carboxamide
CID 3855914
1-[2-(3-chlorophenyl)ethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxamide
CID 3416100
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
4-(4-bromophenyl)-5-butyl-1-[(3-chlorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3287721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide?
The IUPAC name of 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide (CID 3790292) is 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide?
The canonical SMILES for 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide is Cc1c(C(N)=O)c2cc(O)c(Cl)cc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide?
The InChIKey is JQSBRHJAPDGTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9-16(17(20)23)12-6-15(22)13(19)7-14(12)21(9)8-10-3-2-4-11(18)5-10/h2-7,22H,8H2,1H3,(H2,20,23).
What are the key properties of 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide?
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide has a molecular weight of 349.22 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 3790292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).